(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide

C12H19N5O2 — CID 81124070

IUPAC(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCNC2)cn1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)8-17-7-10(6-15-17)16-12(19)9-3-2-4-14-5-9/h6-7,9,14H,2-5,8H2,1H3,(H,13,18)(H,16,19)/t9-/m1/s1
InChIKeyNTYSRTMBOUOAPO-SECBINFHSA-N
MW265.32 g/mol
LogP-0.43
Rot. Bonds4

About (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide

(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 81124070) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID81124070
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCNC2)cn1
InChIInChI=1S/C12H19N5O2/c1-13-11(18)8-17-7-10(6-15-17)16-12(19)9-3-2-4-14-5-9/h6-7,9,14H,2-5,8H2,1H3,(H,13,18)(H,16,19)/t9-/m1/s1
InChIKeyNTYSRTMBOUOAPO-SECBINFHSA-N
XLogP-0.43
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 54863112
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-3-ylbutanamide
CID 119728755
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-3-piperidin-4-ylpropanamide
CID 62211260
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide (CID 81124070) is (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide is CNC(=O)Cn1cc(NC(=O)[C@@H]2CCCNC2)cn1.
What is the InChIKey of (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is NTYSRTMBOUOAPO-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-11(18)8-17-7-10(6-15-17)16-12(19)9-3-2-4-14-5-9/h6-7,9,14H,2-5,8H2,1H3,(H,13,18)(H,16,19)/t9-/m1/s1.
What are the key properties of (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide?
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 81124070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).