1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide

C12H21N5O — CID 63757179

IUPAC1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NCC2CCCCN2)c1C(N)=O
InChIInChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-9-5-3-4-6-14-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18)
InChIKeyKMXHXADGGRAFOK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.38
Rot. Bonds4

About 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide

1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide (PubChem CID 63757179) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
PubChem CID63757179
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide
SMILESCc1nn(C)c(NCC2CCCCN2)c1C(N)=O
InChIInChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-9-5-3-4-6-14-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18)
InChIKeyKMXHXADGGRAFOK-UHFFFAOYSA-N
XLogP0.38
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-(piperidin-4-ylmethylamino)pyrazole-4-carboxamide
CID 63757516
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
5-[3-(cyclopropylamino)propylamino]-1,3-dimethylpyrazole-4-carboxamide
CID 63757857
1,3-dimethyl-5-(3-piperazin-1-ylpropylamino)pyrazole-4-carboxamide
CID 63758205
1-methyl-4-nitro-N-(piperidin-2-ylmethyl)-3-propylpyrazol-5-amine
CID 66017120
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 113307943
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]-2-methylpropanoic acid
CID 63756272
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
CID 63757522
2-[1-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162044
5-[(5-amino-1H-pyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carboxamide
CID 79531367
1-piperidin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 106634107

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide (CID 63757179) is 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide is Cc1nn(C)c(NCC2CCCCN2)c1C(N)=O.
What is the InChIKey of 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide?
The InChIKey is KMXHXADGGRAFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-10(11(13)18)12(17(2)16-8)15-7-9-5-3-4-6-14-9/h9,14-15H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide?
1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(piperidin-2-ylmethylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 63757179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).