N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H17FN6O2 — CID 119063413

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(F)cc2)c1)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C19H17FN6O2/c20-15-1-3-16(4-2-15)25-12-14(10-23-25)9-22-19(28)17-7-18-21-8-13(5-6-27)11-26(18)24-17/h1-4,7-8,10-12,27H,5-6,9H2,(H,22,28)
InChIKeyPFIOULXWSOBOPK-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.52
Rot. Bonds6

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 119063413) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID119063413
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1cnn(-c2ccc(F)cc2)c1)c1cc2ncc(CCO)cn2n1
InChIInChI=1S/C19H17FN6O2/c20-15-1-3-16(4-2-15)25-12-14(10-23-25)9-22-19(28)17-7-18-21-8-13(5-6-27)11-26(18)24-17/h1-4,7-8,10-12,27H,5-6,9H2,(H,22,28)
InChIKeyPFIOULXWSOBOPK-UHFFFAOYSA-N
XLogP1.52
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 121499041
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CID 39058604
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156584726
N-(4-fluorophenyl)-4-[4-[(propanoylamino)methyl]pyrazol-1-yl]benzamide
CID 53161690
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethanol
CID 50970819
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 126442194
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(2-phenylpropyl)-1,2-oxazole-5-carboxamide
CID 45180251
6-(2-hydroxyethyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 119063413) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1cnn(-c2ccc(F)cc2)c1)c1cc2ncc(CCO)cn2n1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is PFIOULXWSOBOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-15-1-3-16(4-2-15)25-12-14(10-23-25)9-22-19(28)17-7-18-21-8-13(5-6-27)11-26(18)24-17/h1-4,7-8,10-12,27H,5-6,9H2,(H,22,28).
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 119063413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).