cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide

C13H19N5O3 — CID 94391607

IUPACcis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCCC(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H19N5O3/c1-8-4-10(8)13(21)14-3-2-11(19)15-7-12(20)18-9-5-16-17-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,21)(H,15,19)(H,16,17)(H,18,20)/t8-,10+/m0/s1
InChIKeyZKXCWMWTHAXMKF-WCBMZHEXSA-N
MW293.33 g/mol
LogP-0.37
Rot. Bonds7

About cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide (PubChem CID 94391607) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide
PubChem CID94391607
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Namecis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NCCC(=O)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C13H19N5O3/c1-8-4-10(8)13(21)14-3-2-11(19)15-7-12(20)18-9-5-16-17-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,21)(H,15,19)(H,16,17)(H,18,20)/t8-,10+/m0/s1
InChIKeyZKXCWMWTHAXMKF-WCBMZHEXSA-N
XLogP-0.37
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]hexanamide
CID 56825627
2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
CID 56783038
2-methyl-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 60736218
5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]pyridine-3-carboxylic acid
CID 63154255
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 115620229
N-[3-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 83101108
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311811
cis-(1R,2S)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015559
trans-(1R,2R)-N-[3-(1H-indazol-7-ylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 38015553
cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94620545
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide (CID 94391607) is cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC(=O)Nc1cn[nH]c1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide?
The InChIKey is ZKXCWMWTHAXMKF-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-8-4-10(8)13(21)14-3-2-11(19)15-7-12(20)18-9-5-16-17-6-9/h5-6,8,10H,2-4,7H2,1H3,(H,14,21)(H,15,19)(H,16,17)(H,18,20)/t8-,10+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[3-oxo-3-[[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]amino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94391607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).