1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate

C27H26N4O2 — CID 141415889

IUPAC1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate
SMILESCc1cnn(-c2ccc(-c3ccc(C4CC4)cc3)nc2)c1NC(=O)OC(C)c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-18-16-29-31(26(18)30-27(32)33-19(2)20-6-4-3-5-7-20)24-14-15-25(28-17-24)23-12-10-22(11-13-23)21-8-9-21/h3-7,10-17,19,21H,8-9H2,1-2H3,(H,30,32)
InChIKeyLSJDZUPLGXSVPD-UHFFFAOYSA-N
MW438.53 g/mol
LogP6.43
Rot. Bonds6

About 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate

1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate (PubChem CID 141415889) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate
PubChem CID141415889
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate
SMILESCc1cnn(-c2ccc(-c3ccc(C4CC4)cc3)nc2)c1NC(=O)OC(C)c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-18-16-29-31(26(18)30-27(32)33-19(2)20-6-4-3-5-7-20)24-14-15-25(28-17-24)23-12-10-22(11-13-23)21-8-9-21/h3-7,10-17,19,21H,8-9H2,1-2H3,(H,30,32)
InChIKeyLSJDZUPLGXSVPD-UHFFFAOYSA-N
XLogP6.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)ethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-fluoropyrazol-5-yl]carbamate
CID 151308644
2-[4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]phenyl]acetic acid
CID 71266530
[1-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]piperidin-4-yl] cyclopropanecarboxylate
CID 175138586
1-[5-[4-cyano-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 90427011
[2-fluoro-4-[5-[5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]-2-pyridinyl]phenyl] cyclopropanecarboxylate
CID 175141866
1-phenylethyl N-[1-(4-bromophenyl)-4-(trifluoromethyl)pyrazol-5-yl]carbamate
CID 90427469
1-[3-chloro-4-[4-[4-chloro-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 150332698
[1-[4-[4-fluoro-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]piperidin-4-yl] acetate
CID 175358538
carbon dioxide;1-phenylethyl N-[5-[4-(4-cyclopropylcyclohexyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 162115929
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-[1-(4-cyanophenyl)-4-methylpyrazol-5-yl]carbamate
CID 90428534
1-phenylethyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 70819175

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate?
The IUPAC name of 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate (CID 141415889) is 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate?
The canonical SMILES for 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate is Cc1cnn(-c2ccc(-c3ccc(C4CC4)cc3)nc2)c1NC(=O)OC(C)c1ccccc1.
What is the InChIKey of 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate?
The InChIKey is LSJDZUPLGXSVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-18-16-29-31(26(18)30-27(32)33-19(2)20-6-4-3-5-7-20)24-14-15-25(28-17-24)23-12-10-22(11-13-23)21-8-9-21/h3-7,10-17,19,21H,8-9H2,1-2H3,(H,30,32).
What are the key properties of 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate?
1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate has a molecular weight of 438.53 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl N-[1-[6-(4-cyclopropylphenyl)-3-pyridinyl]-4-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 141415889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).