3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide

C11H19N5O — CID 64523651

IUPAC3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCCN2CCCC2)[nH]n1
InChIInChI=1S/C11H19N5O/c12-10-8-9(14-15-10)11(17)13-4-3-7-16-5-1-2-6-16/h8H,1-7H2,(H,13,17)(H3,12,14,15)
InChIKeyPOYJJVOARWCZCE-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.21
Rot. Bonds5

About 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide

3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523651) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID64523651
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCCN2CCCC2)[nH]n1
InChIInChI=1S/C11H19N5O/c12-10-8-9(14-15-10)11(17)13-4-3-7-16-5-1-2-6-16/h8H,1-7H2,(H,13,17)(H3,12,14,15)
InChIKeyPOYJJVOARWCZCE-UHFFFAOYSA-N
XLogP0.21
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide (CID 64523651) is 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCCCN2CCCC2)[nH]n1.
What is the InChIKey of 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is POYJJVOARWCZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c12-10-8-9(14-15-10)11(17)13-4-3-7-16-5-1-2-6-16/h8H,1-7H2,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).