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

C11H19N5O — CID 55178218

IUPAC4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCCC(CNC(=O)c2[nH]ncc2N)C1
InChIInChI=1S/C11H19N5O/c1-16-4-2-3-8(7-16)5-13-11(17)10-9(12)6-14-15-10/h6,8H,2-5,7,12H2,1H3,(H,13,17)(H,14,15)
InChIKeyAVNUTLHSLAVYMN-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds3

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

4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 55178218) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID55178218
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCCC(CNC(=O)c2[nH]ncc2N)C1
InChIInChI=1S/C11H19N5O/c1-16-4-2-3-8(7-16)5-13-11(17)10-9(12)6-14-15-10/h6,8H,2-5,7,12H2,1H3,(H,13,17)(H,14,15)
InChIKeyAVNUTLHSLAVYMN-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63103599
4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 24889469
4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63233409
5-amino-2-bromo-4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62815794
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
N-[5-(cyclopropylmethylcarbamoyl)-1H-pyrazol-4-yl]-1-methylpiperidine-4-carboxamide
CID 59733404
(4-amino-1H-pyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605171
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
CID 65357053
5-chloro-6-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 62175962

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 55178218) is 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is CN1CCCC(CNC(=O)c2[nH]ncc2N)C1.
What is the InChIKey of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AVNUTLHSLAVYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-4-2-3-8(7-16)5-13-11(17)10-9(12)6-14-15-10/h6,8H,2-5,7,12H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).