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

C10H17N5O — CID 64524097

IUPAC3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCN2CCCC2)[nH]n1
InChIInChI=1S/C10H17N5O/c11-9-7-8(13-14-9)10(16)12-3-6-15-4-1-2-5-15/h7H,1-6H2,(H,12,16)(H3,11,13,14)
InChIKeyNWAFLLBHIHWBKQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.18
Rot. Bonds4

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

3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524097) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID64524097
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCCN2CCCC2)[nH]n1
InChIInChI=1S/C10H17N5O/c11-9-7-8(13-14-9)10(16)12-3-6-15-4-1-2-5-15/h7H,1-6H2,(H,12,16)(H3,11,13,14)
InChIKeyNWAFLLBHIHWBKQ-UHFFFAOYSA-N
XLogP-0.18
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide (CID 64524097) is 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCCN2CCCC2)[nH]n1.
What is the InChIKey of 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NWAFLLBHIHWBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9-7-8(13-14-9)10(16)12-3-6-15-4-1-2-5-15/h7H,1-6H2,(H,12,16)(H3,11,13,14).
What are the key properties of 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).