3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide

C11H19N5O — CID 60855101

IUPAC3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCC1CCN(C)C1
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)15-14-7)11(17)13-5-8-3-4-16(2)6-8/h8H,3-6H2,1-2H3,(H,13,17)(H3,12,14,15)
InChIKeyODHIDHFJGCTUTP-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.02
Rot. Bonds3

About 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide

3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 60855101) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID60855101
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)NCC1CCN(C)C1
InChIInChI=1S/C11H19N5O/c1-7-9(10(12)15-14-7)11(17)13-5-8-3-4-16(2)6-8/h8H,3-6H2,1-2H3,(H,13,17)(H3,12,14,15)
InChIKeyODHIDHFJGCTUTP-UHFFFAOYSA-N
XLogP-0.02
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide (CID 60855101) is 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)NCC1CCN(C)C1.
What is the InChIKey of 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ODHIDHFJGCTUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-7-9(10(12)15-14-7)11(17)13-5-8-3-4-16(2)6-8/h8H,3-6H2,1-2H3,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide?
3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60855101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).