N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide

C27H27N5O2 — CID 42378439

IUPACN-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(-n3cc(NC(=O)c4ccc(C)cc4C)cn3)cc2)nc1
InChIInChI=1S/C27H27N5O2/c1-4-20-6-9-22(28-14-20)15-29-26(33)21-7-10-24(11-8-21)32-17-23(16-30-32)31-27(34)25-12-5-18(2)13-19(25)3/h5-14,16-17H,4,15H2,1-3H3,(H,29,33)(H,31,34)
InChIKeyQKJUSJBQSOJZIP-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.63
Rot. Bonds7

About N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide

N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide (PubChem CID 42378439) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide
PubChem CID42378439
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC NameN-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide
SMILESCCc1ccc(CNC(=O)c2ccc(-n3cc(NC(=O)c4ccc(C)cc4C)cn3)cc2)nc1
InChIInChI=1S/C27H27N5O2/c1-4-20-6-9-22(28-14-20)15-29-26(33)21-7-10-24(11-8-21)32-17-23(16-30-32)31-27(34)25-12-5-18(2)13-19(25)3/h5-14,16-17H,4,15H2,1-3H3,(H,29,33)(H,31,34)
InChIKeyQKJUSJBQSOJZIP-UHFFFAOYSA-N
XLogP4.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
2,4-dimethyl-N-[1-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)carbamoyl]phenyl]pyrazol-4-yl]benzamide
CID 42276002
2,4-dimethyl-N-[1-[4-(oxazinane-2-carbonyl)phenyl]pyrazol-4-yl]benzamide
CID 126466233
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19404033
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26279343
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19406517
4-[4-(acetamidomethyl)pyrazol-1-yl]-N-(4-methylphenyl)benzamide
CID 53161673
2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide (CID 42378439) is N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide is CCc1ccc(CNC(=O)c2ccc(-n3cc(NC(=O)c4ccc(C)cc4C)cn3)cc2)nc1.
What is the InChIKey of N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide?
The InChIKey is QKJUSJBQSOJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-4-20-6-9-22(28-14-20)15-29-26(33)21-7-10-24(11-8-21)32-17-23(16-30-32)31-27(34)25-12-5-18(2)13-19(25)3/h5-14,16-17H,4,15H2,1-3H3,(H,29,33)(H,31,34).
What are the key properties of N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide?
N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide has a molecular weight of 453.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(5-ethyl-2-pyridinyl)methylcarbamoyl]phenyl]pyrazol-4-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 42378439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).