7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H19N5O — CID 137011941

IUPAC7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1NCCC2CN
InChIInChI=1S/C11H19N5O/c1-7(2)15-11(17)9-6-14-16-8(5-12)3-4-13-10(9)16/h6-8,13H,3-5,12H2,1-2H3,(H,15,17)
InChIKeyXOKFEUVQVMLMFH-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.34
Rot. Bonds3

About 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137011941) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137011941
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)c1cnn2c1NCCC2CN
InChIInChI=1S/C11H19N5O/c1-7(2)15-11(17)9-6-14-16-8(5-12)3-4-13-10(9)16/h6-8,13H,3-5,12H2,1-2H3,(H,15,17)
InChIKeyXOKFEUVQVMLMFH-UHFFFAOYSA-N
XLogP0.34
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137011941) is 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)NC(=O)c1cnn2c1NCCC2CN.
What is the InChIKey of 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XOKFEUVQVMLMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7(2)15-11(17)9-6-14-16-8(5-12)3-4-13-10(9)16/h6-8,13H,3-5,12H2,1-2H3,(H,15,17).
What are the key properties of 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137011941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).