5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F5N6O — CID 4771906

IUPAC5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C21H21F5N6O/c22-18(23)16-8-14(11-2-3-11)29-19-13(10-28-32(16)19)20(33)27-6-1-7-31-15(12-4-5-12)9-17(30-31)21(24,25)26/h8-12,18H,1-7H2,(H,27,33)
InChIKeyBQHHHTHAMHMAMZ-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.46
Rot. Bonds8

About 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4771906) has the molecular formula C21H21F5N6O and a molecular weight of 468.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4771906
Molecular FormulaC21H21F5N6O
Molecular Weight468.43 g/mol
Exact Mass468.17
IUPAC Name5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnn2c(C(F)F)cc(C3CC3)nc12
InChIInChI=1S/C21H21F5N6O/c22-18(23)16-8-14(11-2-3-11)29-19-13(10-28-32(16)19)20(33)27-6-1-7-31-15(12-4-5-12)9-17(30-31)21(24,25)26/h8-12,18H,1-7H2,(H,27,33)
InChIKeyBQHHHTHAMHMAMZ-UHFFFAOYSA-N
XLogP4.46
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4771906) is 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1cnn2c(C(F)F)cc(C3CC3)nc12.
What is the InChIKey of 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BQHHHTHAMHMAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F5N6O/c22-18(23)16-8-14(11-2-3-11)29-19-13(10-28-32(16)19)20(33)27-6-1-7-31-15(12-4-5-12)9-17(30-31)21(24,25)26/h8-12,18H,1-7H2,(H,27,33).
What are the key properties of 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 468.43 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4771906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).