ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate

C18H21ClN4O3 — CID 17409577

IUPACethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-2-26-18(25)23-9-7-14(8-10-23)21-17(24)15-11-20-22-16(15)12-3-5-13(19)6-4-12/h3-6,11,14H,2,7-10H2,1H3,(H,20,22)(H,21,24)
InChIKeyOZGOJPRAEWPBCK-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.08
Rot. Bonds4

About ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 17409577) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID17409577
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Nameethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H21ClN4O3/c1-2-26-18(25)23-9-7-14(8-10-23)21-17(24)15-11-20-22-16(15)12-3-5-13(19)6-4-12/h3-6,11,14H,2,7-10H2,1H3,(H,20,22)(H,21,24)
InChIKeyOZGOJPRAEWPBCK-UHFFFAOYSA-N
XLogP3.08
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 55951354
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[[2-[(4-chlorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
CID 43010715
5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 71824281
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
CID 51193856
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
(1-acetylpyrrolidin-3-yl) 5-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
CID 86794843

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate (CID 17409577) is ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is OZGOJPRAEWPBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-2-26-18(25)23-9-7-14(8-10-23)21-17(24)15-11-20-22-16(15)12-3-5-13(19)6-4-12/h3-6,11,14H,2,7-10H2,1H3,(H,20,22)(H,21,24).
What are the key properties of ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 376.84 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 17409577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).