1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide

C13H21N5O2 — CID 66123407

IUPAC1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1nn(C)c(C(=O)N2CC(C(N)=O)CCC2C)c1N
InChIInChI=1S/C13H21N5O2/c1-7-4-5-9(12(15)19)6-18(7)13(20)11-10(14)8(2)16-17(11)3/h7,9H,4-6,14H2,1-3H3,(H2,15,19)
InChIKeyCTKKSVJAQJLERK-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.04
Rot. Bonds2

About 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide

1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 66123407) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID66123407
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCc1nn(C)c(C(=O)N2CC(C(N)=O)CCC2C)c1N
InChIInChI=1S/C13H21N5O2/c1-7-4-5-9(12(15)19)6-18(7)13(20)11-10(14)8(2)16-17(11)3/h7,9H,4-6,14H2,1-3H3,(H2,15,19)
InChIKeyCTKKSVJAQJLERK-UHFFFAOYSA-N
XLogP0.04
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1,3-dimethylpyrazol-5-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79189036
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 66125351
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-methylmorpholin-4-yl)methanone
CID 66122598
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 66123826
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-amino-1,3-dimethylpyrazol-5-yl)methanone
CID 82746672
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)morpholine-3-carboxamide
CID 83094033
(3R,6R)-1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95139369
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)-6-methylpiperidine-3-carboxamide
CID 49023661
1-(2-amino-1,3-thiazole-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 55116395
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-methylazepan-1-yl)methanone
CID 66125758
(4-amino-1,3-dimethylpyrazol-5-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 66124763

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide (CID 66123407) is 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide is Cc1nn(C)c(C(=O)N2CC(C(N)=O)CCC2C)c1N.
What is the InChIKey of 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is CTKKSVJAQJLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-7-4-5-9(12(15)19)6-18(7)13(20)11-10(14)8(2)16-17(11)3/h7,9H,4-6,14H2,1-3H3,(H2,15,19).
What are the key properties of 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide?
1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 66123407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).