1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate

C26H22ClFN4O2 — CID 151308644

IUPAC1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate
SMILESCC(OC(=O)Nc1c(F)cnn1-c1ccc(-c2ccc(C3CC3)cc2)nc1)c1ccccc1Cl
InChIInChI=1S/C26H22ClFN4O2/c1-16(21-4-2-3-5-22(21)27)34-26(33)31-25-23(28)15-30-32(25)20-12-13-24(29-14-20)19-10-8-18(9-11-19)17-6-7-17/h2-5,8-17H,6-7H2,1H3,(H,31,33)
InChIKeyODYNYIBGQOBUCK-UHFFFAOYSA-N
MW476.94 g/mol
LogP6.91
Rot. Bonds6

About 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate

1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate (PubChem CID 151308644) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate
PubChem CID151308644
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC Name1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate
SMILESCC(OC(=O)Nc1c(F)cnn1-c1ccc(-c2ccc(C3CC3)cc2)nc1)c1ccccc1Cl
InChIInChI=1S/C26H22ClFN4O2/c1-16(21-4-2-3-5-22(21)27)34-26(33)31-25-23(28)15-30-32(25)20-12-13-24(29-14-20)19-10-8-18(9-11-19)17-6-7-17/h2-5,8-17H,6-7H2,1H3,(H,31,33)
InChIKeyODYNYIBGQOBUCK-UHFFFAOYSA-N
XLogP6.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate
CID 141415889
[(1R)-1-(2-chlorophenyl)ethyl] N-[4-fluoro-1-[4-[4-[1-(2H-tetrazol-5-yl)cyclopropyl]phenyl]phenyl]pyrazol-5-yl]carbamate
CID 155784047
1-[4-[4-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-4-fluoropyrazol-1-yl]phenyl]-3-fluorophenyl]cyclopropane-1-carboxylic acid
CID 90401425
[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-bromophenyl)-4-chloropyrazol-5-yl]carbamate
CID 153378753
1-[4-[5-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-fluoropyrazol-1-yl]-2-pyridinyl]-2-fluorophenyl]cyclopropane-1-carboxylic acid
CID 172775591
[(1R)-1-(2-chlorophenyl)ethyl] N-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate
CID 90428534
carbon dioxide;1-(2-chlorophenyl)ethyl N-[5-[4-(4-cyclopropylphenyl)cyclohexyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 160531450
[1-[4-[4-fluoro-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]piperidin-4-yl] acetate
CID 175358538
[2-fluoro-4-[5-[5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]-2-pyridinyl]phenyl] cyclopropanecarboxylate
CID 175141866
1-[3-fluoro-4-[4-[4-fluoro-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 150164925
[(1R)-1-(2-chlorophenyl)ethyl] N-[3-methyl-5-[5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-2-pyridinyl]triazol-4-yl]carbamate
CID 170047924
[(1R)-1-(2-chlorophenyl)ethyl] N-[2-[4-[4-(1-ethylcyclopropyl)phenyl]phenyl]pyrazol-3-yl]carbamate
CID 89447319

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate?
The IUPAC name of 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate (CID 151308644) is 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate is CC(OC(=O)Nc1c(F)cnn1-c1ccc(-c2ccc(C3CC3)cc2)nc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate?
The InChIKey is ODYNYIBGQOBUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c1-16(21-4-2-3-5-22(21)27)34-26(33)31-25-23(28)15-30-32(25)20-12-13-24(29-14-20)19-10-8-18(9-11-19)17-6-7-17/h2-5,8-17H,6-7H2,1H3,(H,31,33).
What are the key properties of 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate?
1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate has a molecular weight of 476.94 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate is sourced from PubChem (CID 151308644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).