N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H19N7O2 — CID 91791268

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cc2ncccn2n1
InChIInChI=1S/C17H19N7O2/c25-9-15-20-21-16(24(15)12-2-3-12)10-6-11(7-10)19-17(26)13-8-14-18-4-1-5-23(14)22-13/h1,4-5,8,10-12,25H,2-3,6-7,9H2,(H,19,26)
InChIKeyBEBAUZABUWDZAC-UHFFFAOYSA-N
MW353.39 g/mol
LogP0.82
Rot. Bonds5

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 91791268) has the molecular formula C17H19N7O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID91791268
Molecular FormulaC17H19N7O2
Molecular Weight353.39 g/mol
Exact Mass353.16
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cc2ncccn2n1
InChIInChI=1S/C17H19N7O2/c25-9-15-20-21-16(24(15)12-2-3-12)10-6-11(7-10)19-17(26)13-8-14-18-4-1-5-23(14)22-13/h1,4-5,8,10-12,25H,2-3,6-7,9H2,(H,19,26)
InChIKeyBEBAUZABUWDZAC-UHFFFAOYSA-N
XLogP0.82
TPSA110.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

US10155765, Example 23
CID 122540818
N-cyclohexyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171797
N-Cyclopentyl-7-(1-pyrrolidinyl)pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53171801
N-cyclopropyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171806
1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-4-(1H-pyrazol-3-ylcarbonyl)-1,4-diazepan-6-ol
CID 74250457
N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-7-methyl[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 91760309
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91774262
N-{cis-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 91785014
N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74235987
N-[(S*)-(cis-3-hydroxycyclobutyl)(1-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91765556
1-Ethyl-N-[4-(hydroxymethyl)-1-(pyrimidin-4-YL)pyrrolidin-3-YL]-1H-pyrazole-3-carboxamide
CID 124049679
1-(2-methoxyethyl)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-3-carboxamide
CID 124621996

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 91791268) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CC(c2nnc(CO)n2C2CC2)C1)c1cc2ncccn2n1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BEBAUZABUWDZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O2/c25-9-15-20-21-16(24(15)12-2-3-12)10-6-11(7-10)19-17(26)13-8-14-18-4-1-5-23(14)22-13/h1,4-5,8,10-12,25H,2-3,6-7,9H2,(H,19,26).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 91791268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).