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

C12H19N5O2 — CID 63999078

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H19N5O2/c1-8-10(6-14-16-8)12(19)15-9-2-4-17(5-3-9)7-11(13)18/h6,9H,2-5,7H2,1H3,(H2,13,18)(H,14,16)(H,15,19)
InChIKeyIBUOTDXREQTPCX-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.60
Rot. Bonds4

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

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 63999078) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID63999078
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C12H19N5O2/c1-8-10(6-14-16-8)12(19)15-9-2-4-17(5-3-9)7-11(13)18/h6,9H,2-5,7H2,1H3,(H2,13,18)(H,14,16)(H,15,19)
InChIKeyIBUOTDXREQTPCX-UHFFFAOYSA-N
XLogP-0.60
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 63997254
5-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylpyridine-3-carboxamide
CID 61139255
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-fluoro-3-methylbenzamide
CID 80710716
3-amino-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-methylbenzamide
CID 61140963
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71918106
N-[(3S)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066371
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-[(3R)-1-(4-bromophenyl)pyrrolidin-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 95296029
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2,6-dichloropyridine-3-carboxamide
CID 106993304
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(2,3-dimethylanilino)benzamide
CID 134047765
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide
CID 53498700

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 63999078) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is IBUOTDXREQTPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-10(6-14-16-8)12(19)15-9-2-4-17(5-3-9)7-11(13)18/h6,9H,2-5,7H2,1H3,(H2,13,18)(H,14,16)(H,15,19).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63999078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).