N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide

C19H23N5O — CID 171801360

IUPACN-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1CCC(=O)Nc1ccc([C@H](C)n2ccnc2C)cc1
InChIInChI=1S/C19H23N5O/c1-13-12-21-23-18(13)8-9-19(25)22-17-6-4-16(5-7-17)14(2)24-11-10-20-15(24)3/h4-7,10-12,14H,8-9H2,1-3H3,(H,21,23)(H,22,25)/t14-/m0/s1
InChIKeyLTHLTNHCFKGGCK-AWEZNQCLSA-N
MW337.43 g/mol
LogP3.40
Rot. Bonds6

About N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide

N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide (PubChem CID 171801360) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide
PubChem CID171801360
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1CCC(=O)Nc1ccc([C@H](C)n2ccnc2C)cc1
InChIInChI=1S/C19H23N5O/c1-13-12-21-23-18(13)8-9-19(25)22-17-6-4-16(5-7-17)14(2)24-11-10-20-15(24)3/h4-7,10-12,14H,8-9H2,1-3H3,(H,21,23)(H,22,25)/t14-/m0/s1
InChIKeyLTHLTNHCFKGGCK-AWEZNQCLSA-N
XLogP3.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Meribendan
CID 65934
4-N-cyclopentyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288554
4-N-cyclobutyl-4-N,1-dimethyl-5-N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazole-4,5-dicarboxamide
CID 71288555
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71288645
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24818949
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide
CID 162540425
1-Methyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-phenyl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 135507267
1,3,8-Trimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10340883
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-1H-pyrazole
CID 25025862
7-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine
CID 25026058

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide (CID 171801360) is N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide is Cc1cn[nH]c1CCC(=O)Nc1ccc([C@H](C)n2ccnc2C)cc1.
What is the InChIKey of N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is LTHLTNHCFKGGCK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-12-21-23-18(13)8-9-19(25)22-17-6-4-16(5-7-17)14(2)24-11-10-20-15(24)3/h4-7,10-12,14H,8-9H2,1-3H3,(H,21,23)(H,22,25)/t14-/m0/s1.
What are the key properties of N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide?
N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 337.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(4-methyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 171801360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).