(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

C14H21N5O2 — CID 125166583

IUPAC(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESC[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccnn1CC1CC1
InChIInChI=1S/C14H21N5O2/c1-10-13(20)17(2)7-8-18(10)14(21)16-12-5-6-15-19(12)9-11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,21)/t10-/m0/s1
InChIKeyIYJYSTXUOLYGHF-JTQLQIEISA-N
MW291.35 g/mol
LogP0.99
Rot. Bonds3

About (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide

(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (PubChem CID 125166583) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
PubChem CID125166583
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
SMILESC[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccnn1CC1CC1
InChIInChI=1S/C14H21N5O2/c1-10-13(20)17(2)7-8-18(10)14(21)16-12-5-6-15-19(12)9-11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,21)/t10-/m0/s1
InChIKeyIYJYSTXUOLYGHF-JTQLQIEISA-N
XLogP0.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-[2-(cyclopropylmethyl)pyrazol-3-yl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carboxamide
CID 97283042
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
(2S)-2,4-dimethyl-3-oxo-N-[4-(2-pyridin-2-ylethoxy)phenyl]piperazine-1-carboxamide
CID 97454486
N-cyclohexyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746859
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 125164754
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115921786
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 118792578
(2S)-2-(imidazol-1-ylmethyl)-N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 99710686
N-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-1,3-dihydroisoindole-2-carboxamide
CID 99713688

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide (CID 125166583) is (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is C[C@H]1C(=O)N(C)CCN1C(=O)Nc1ccnn1CC1CC1.
What is the InChIKey of (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is IYJYSTXUOLYGHF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-13(20)17(2)7-8-18(10)14(21)16-12-5-6-15-19(12)9-11-3-4-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,21)/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide?
(2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclopropylmethyl)pyrazol-3-yl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 125166583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).