4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide

C12H21N5O — CID 62083205

IUPAC4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CCCCN2C)c1N
InChIInChI=1S/C12H21N5O/c1-8-10(13)11(16-15-8)12(18)14-7-9-5-3-4-6-17(9)2/h9H,3-7,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyRKVULQHCLDRHAA-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.51
Rot. Bonds3

About 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 62083205) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID62083205
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CCCCN2C)c1N
InChIInChI=1S/C12H21N5O/c1-8-10(13)11(16-15-8)12(18)14-7-9-5-3-4-6-17(9)2/h9H,3-7,13H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyRKVULQHCLDRHAA-UHFFFAOYSA-N
XLogP0.51
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082306
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 62083205) is 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC2CCCCN2C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RKVULQHCLDRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-10(13)11(16-15-8)12(18)14-7-9-5-3-4-6-17(9)2/h9H,3-7,13H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62083205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).