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

C13H16N4O2 — CID 115877516

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC3(CO)CC3)c(C)n2n1
InChIInChI=1S/C13H16N4O2/c1-8-5-11-14-6-10(9(2)17(11)16-8)12(19)15-13(7-18)3-4-13/h5-6,18H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyWBDNNRHWLVNVNZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.60
Rot. Bonds3

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

N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 115877516) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID115877516
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NC3(CO)CC3)c(C)n2n1
InChIInChI=1S/C13H16N4O2/c1-8-5-11-14-6-10(9(2)17(11)16-8)12(19)15-13(7-18)3-4-13/h5-6,18H,3-4,7H2,1-2H3,(H,15,19)
InChIKeyWBDNNRHWLVNVNZ-UHFFFAOYSA-N
XLogP0.60
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 115877516) is N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NC3(CO)CC3)c(C)n2n1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WBDNNRHWLVNVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-5-11-14-6-10(9(2)17(11)16-8)12(19)15-13(7-18)3-4-13/h5-6,18H,3-4,7H2,1-2H3,(H,15,19).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 115877516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).