3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide

C11H19N5O — CID 64525051

IUPAC3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O/c1-8(7-16-4-2-3-5-16)13-11(17)9-6-10(12)15-14-9/h6,8H,2-5,7H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyNAOLECNOYAXHDD-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.21
Rot. Bonds4

About 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64525051) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID64525051
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O/c1-8(7-16-4-2-3-5-16)13-11(17)9-6-10(12)15-14-9/h6,8H,2-5,7H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyNAOLECNOYAXHDD-UHFFFAOYSA-N
XLogP0.21
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide (CID 64525051) is 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide is CC(CN1CCCC1)NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NAOLECNOYAXHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(7-16-4-2-3-5-16)13-11(17)9-6-10(12)15-14-9/h6,8H,2-5,7H2,1H3,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).