N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide

C17H21N5O2 — CID 84598089

IUPACN-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C17H21N5O2/c1-12-4-2-3-5-14(12)22-15(8-9-20-22)21-17(24)19-11-10-18-16(23)13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,23)(H2,19,21,24)
InChIKeyOMLBLXAVBRLZDB-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.83
Rot. Bonds6

About N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide

N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide (PubChem CID 84598089) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
PubChem CID84598089
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C17H21N5O2/c1-12-4-2-3-5-14(12)22-15(8-9-20-22)21-17(24)19-11-10-18-16(23)13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,23)(H2,19,21,24)
InChIKeyOMLBLXAVBRLZDB-UHFFFAOYSA-N
XLogP1.83
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
CID 84598091
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 96540089
2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837287
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 96539720
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 75467532
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide (CID 84598089) is N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide is Cc1ccccc1-n1nccc1NC(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is OMLBLXAVBRLZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-4-2-3-5-14(12)22-15(8-9-20-22)21-17(24)19-11-10-18-16(23)13-6-7-13/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,18,23)(H2,19,21,24).
What are the key properties of N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide?
N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methylphenyl)pyrazol-3-yl]carbamoylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 84598089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).