3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide

C9H15N5O — CID 64524869

IUPAC3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)n[nH]2)C1
InChIInChI=1S/C9H15N5O/c1-14-3-2-6(5-14)11-9(15)7-4-8(10)13-12-7/h4,6H,2-3,5H2,1H3,(H,11,15)(H3,10,12,13)
InChIKeyBVOAQVIVPKWZIM-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.57
Rot. Bonds2

About 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64524869) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID64524869
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)n[nH]2)C1
InChIInChI=1S/C9H15N5O/c1-14-3-2-6(5-14)11-9(15)7-4-8(10)13-12-7/h4,6H,2-3,5H2,1H3,(H,11,15)(H3,10,12,13)
InChIKeyBVOAQVIVPKWZIM-UHFFFAOYSA-N
XLogP-0.57
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.57
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-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide (CID 64524869) is 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide is CN1CCC(NC(=O)c2cc(N)n[nH]2)C1.
What is the InChIKey of 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is BVOAQVIVPKWZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-14-3-2-6(5-14)11-9(15)7-4-8(10)13-12-7/h4,6H,2-3,5H2,1H3,(H,11,15)(H3,10,12,13).
What are the key properties of 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).