N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide

C26H21N5O2 — CID 112830947

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C26H21N5O2/c1-17-14-21(33-26-19(15-27)6-5-13-28-26)11-12-23(17)30-25(32)22-16-29-31(24(22)18-9-10-18)20-7-3-2-4-8-20/h2-8,11-14,16,18H,9-10H2,1H3,(H,30,32)
InChIKeyORWZCPGWDGKOAV-UHFFFAOYSA-N
MW435.49 g/mol
LogP5.37
Rot. Bonds6

About N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide

N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide (PubChem CID 112830947) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
PubChem CID112830947
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C26H21N5O2/c1-17-14-21(33-26-19(15-27)6-5-13-28-26)11-12-23(17)30-25(32)22-16-29-31(24(22)18-9-10-18)20-7-3-2-4-8-20/h2-8,11-14,16,18H,9-10H2,1H3,(H,30,32)
InChIKeyORWZCPGWDGKOAV-UHFFFAOYSA-N
XLogP5.37
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide (CID 112830947) is N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ORWZCPGWDGKOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-17-14-21(33-26-19(15-27)6-5-13-28-26)11-12-23(17)30-25(32)22-16-29-31(24(22)18-9-10-18)20-7-3-2-4-8-20/h2-8,11-14,16,18H,9-10H2,1H3,(H,30,32).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112830947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).