1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide

C12H18N4O2 — CID 130443193

IUPAC1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
SMILESCC1CCCCN1C(=O)c1c(C(N)=O)cnn1C
InChIInChI=1S/C12H18N4O2/c1-8-5-3-4-6-16(8)12(18)10-9(11(13)17)7-14-15(10)2/h7-8H,3-6H2,1-2H3,(H2,13,17)
InChIKeyLRAMWOYKTYFJEF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.53
Rot. Bonds2

About 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide

1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide (PubChem CID 130443193) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
PubChem CID130443193
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide
SMILESCC1CCCCN1C(=O)c1c(C(N)=O)cnn1C
InChIInChI=1S/C12H18N4O2/c1-8-5-3-4-6-16(8)12(18)10-9(11(13)17)7-14-15(10)2/h7-8H,3-6H2,1-2H3,(H2,13,17)
InChIKeyLRAMWOYKTYFJEF-UHFFFAOYSA-N
XLogP0.53
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-methylpiperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623821
(2-methylpiperidin-1-yl)-(1-methyl-4-prop-2-enylpyrazol-5-yl)methanone
CID 170457723
(5-amino-1-propan-2-ylpyrazol-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 146680677
(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966891
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
[6-[(2S)-2-methylpiperidine-1-carbonyl]-3-pyridinyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1222984
1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
(5-amino-1-methylpyrazol-4-yl)-(2,4-dimethyl-1,4-diazepan-1-yl)methanone
CID 114087644
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
(1,3-dimethyl-4-nitropyrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51389969
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide (CID 130443193) is 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide is CC1CCCCN1C(=O)c1c(C(N)=O)cnn1C.
What is the InChIKey of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide?
The InChIKey is LRAMWOYKTYFJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-3-4-6-16(8)12(18)10-9(11(13)17)7-14-15(10)2/h7-8H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide?
1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpiperidine-1-carbonyl)pyrazole-4-carboxamide is sourced from PubChem (CID 130443193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).