N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide

C22H25N3O2 — CID 126440416

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-14-21(15(2)25-24-14)11-12-23-22(27)20-6-4-5-19(13-20)18-9-7-17(8-10-18)16(3)26/h4-10,13,16,26H,11-12H2,1-3H3,(H,23,27)(H,24,25)/t16-/m1/s1
InChIKeyFTLMFKUAHGNLNP-MRXNPFEDSA-N
MW363.46 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide (PubChem CID 126440416) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
PubChem CID126440416
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2ccc([C@@H](C)O)cc2)c1
InChIInChI=1S/C22H25N3O2/c1-14-21(15(2)25-24-14)11-12-23-22(27)20-6-4-5-19(13-20)18-9-7-17(8-10-18)16(3)26/h4-10,13,16,26H,11-12H2,1-3H3,(H,23,27)(H,24,25)/t16-/m1/s1
InChIKeyFTLMFKUAHGNLNP-MRXNPFEDSA-N
XLogP3.72
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 1460215
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
CID 118777151
3-[3-[(1S)-1-hydroxyethyl]phenyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126425555
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-(6-oxo-1H-pyridin-2-yl)benzamide
CID 118791459
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
CID 90649604
N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 46983866
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide (CID 126440416) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide is Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2ccc([C@@H](C)O)cc2)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide?
The InChIKey is FTLMFKUAHGNLNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-21(15(2)25-24-14)11-12-23-22(27)20-6-4-5-19(13-20)18-9-7-17(8-10-18)16(3)26/h4-10,13,16,26H,11-12H2,1-3H3,(H,23,27)(H,24,25)/t16-/m1/s1.
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide is sourced from PubChem (CID 126440416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).