N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C14H18N4O2 — CID 115877997

IUPACN-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC3(CO)CCC3)c(C)n2n1
InChIInChI=1S/C14H18N4O2/c1-9-6-12-15-7-11(10(2)18(12)17-9)13(20)16-14(8-19)4-3-5-14/h6-7,19H,3-5,8H2,1-2H3,(H,16,20)
InChIKeyHPWIWRPCORNSQP-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.99
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 115877997) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID115877997
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC3(CO)CCC3)c(C)n2n1
InChIInChI=1S/C14H18N4O2/c1-9-6-12-15-7-11(10(2)18(12)17-9)13(20)16-14(8-19)4-3-5-14/h6-7,19H,3-5,8H2,1-2H3,(H,16,20)
InChIKeyHPWIWRPCORNSQP-UHFFFAOYSA-N
XLogP0.99
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 115877516
2,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714222
N-butan-2-yl-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 60714205
2,7-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24666481
2-cyclopropyl-2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
CID 62696101
2-[2-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241897
2-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-5-methylpyrazole-3-carboxamide
CID 113344850
N-[(3S)-2,2-dimethyl-1,1-dioxothietan-3-yl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 125421872
N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 110008789
2,7-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 61003398
2,7-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24641471
N-[1-(hydroxymethyl)cyclobutyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103881158

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 115877997) is N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NC3(CO)CCC3)c(C)n2n1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HPWIWRPCORNSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9-6-12-15-7-11(10(2)18(12)17-9)13(20)16-14(8-19)4-3-5-14/h6-7,19H,3-5,8H2,1-2H3,(H,16,20).
What are the key properties of N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclobutyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 115877997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).