N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C12H16N4O2 — CID 58628487

IUPACN-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1ccn2ncc(CO)c2n1
InChIInChI=1S/C12H16N4O2/c1-3-8(2)14-12(18)10-4-5-16-11(15-10)9(7-17)6-13-16/h4-6,8,17H,3,7H2,1-2H3,(H,14,18)
InChIKeyXFOGNKXEDUZKED-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.75
Rot. Bonds4

About N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628487) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628487
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1ccn2ncc(CO)c2n1
InChIInChI=1S/C12H16N4O2/c1-3-8(2)14-12(18)10-4-5-16-11(15-10)9(7-17)6-13-16/h4-6,8,17H,3,7H2,1-2H3,(H,14,18)
InChIKeyXFOGNKXEDUZKED-UHFFFAOYSA-N
XLogP0.75
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628487) is N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCC(C)NC(=O)c1ccn2ncc(CO)c2n1.
What is the InChIKey of N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XFOGNKXEDUZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-3-8(2)14-12(18)10-4-5-16-11(15-10)9(7-17)6-13-16/h4-6,8,17H,3,7H2,1-2H3,(H,14,18).
What are the key properties of N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).