5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H22F3N7O3 — CID 19338930

IUPAC5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H22F3N7O3/c1-2-30-18(20(33)29-5-7-34-8-6-29)15(11-25-30)27-19(32)14-10-17-26-13(12-3-4-12)9-16(21(22,23)24)31(17)28-14/h9-12H,2-8H2,1H3,(H,27,32)
InChIKeyHAZMFOAESNKGBA-UHFFFAOYSA-N
MW477.45 g/mol
LogP2.57
Rot. Bonds5

About 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19338930) has the molecular formula C21H22F3N7O3 and a molecular weight of 477.45 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19338930
Molecular FormulaC21H22F3N7O3
Molecular Weight477.45 g/mol
Exact Mass477.17
IUPAC Name5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C21H22F3N7O3/c1-2-30-18(20(33)29-5-7-34-8-6-29)15(11-25-30)27-19(32)14-10-17-26-13(12-3-4-12)9-16(21(22,23)24)31(17)28-14/h9-12H,2-8H2,1H3,(H,27,32)
InChIKeyHAZMFOAESNKGBA-UHFFFAOYSA-N
XLogP2.57
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-N-(1-ethyl-5-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19394331
5-cyclopropyl-7-(difluoromethyl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455693
5-cyclopropyl-N-(2,6-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447361
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519310
5-tert-butyl-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466436
5-cyclopropyl-N-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
5-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19290645
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
methyl 2-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]acetate
CID 19447457
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339996
3-(4-chlorophenyl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509579

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19338930) is 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)c1C(=O)N1CCOCC1.
What is the InChIKey of 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HAZMFOAESNKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O3/c1-2-30-18(20(33)29-5-7-34-8-6-29)15(11-25-30)27-19(32)14-10-17-26-13(12-3-4-12)9-16(21(22,23)24)31(17)28-14/h9-12H,2-8H2,1H3,(H,27,32).
What are the key properties of 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 477.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19338930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).