4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole

C20H25ClN4O — CID 92612154

IUPAC4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
SMILESCCCn1nc(C)c(-c2cncn2C[C@@H](C)Oc2ccccc2Cl)c1C
InChIInChI=1S/C20H25ClN4O/c1-5-10-25-16(4)20(15(3)23-25)18-11-22-13-24(18)12-14(2)26-19-9-7-6-8-17(19)21/h6-9,11,13-14H,5,10,12H2,1-4H3/t14-/m1/s1
InChIKeyIHAYEPOSQPLDQS-CQSZACIVSA-N
MW372.90 g/mol
LogP4.89
Rot. Bonds7

About 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole

4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole (PubChem CID 92612154) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole.

Molecular Properties

Compound Name4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
PubChem CID92612154
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
SMILESCCCn1nc(C)c(-c2cncn2C[C@@H](C)Oc2ccccc2Cl)c1C
InChIInChI=1S/C20H25ClN4O/c1-5-10-25-16(4)20(15(3)23-25)18-11-22-13-24(18)12-14(2)26-19-9-7-6-8-17(19)21/h6-9,11,13-14H,5,10,12H2,1-4H3/t14-/m1/s1
InChIKeyIHAYEPOSQPLDQS-CQSZACIVSA-N
XLogP4.89
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenoxy)propyl]-5-(1-methylpyrazol-4-yl)imidazole
CID 46980421
4-[3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612183
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980226
1-[1-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
CID 171667670
4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612156
3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
CID 171667769
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
CID 46980228
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
3-(2-chlorophenoxy)butan-1-ol
CID 82076432
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
2-[3-chloro-4-(3,5-dimethyl-1-propylpyrazol-4-yl)phenyl]acetic acid
CID 167846775

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The IUPAC name of 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole (CID 92612154) is 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole.
What is the SMILES notation for 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The canonical SMILES for 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole is CCCn1nc(C)c(-c2cncn2C[C@@H](C)Oc2ccccc2Cl)c1C.
What is the InChIKey of 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The InChIKey is IHAYEPOSQPLDQS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-5-10-25-16(4)20(15(3)23-25)18-11-22-13-24(18)12-14(2)26-19-9-7-6-8-17(19)21/h6-9,11,13-14H,5,10,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole has a molecular weight of 372.90 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole is sourced from PubChem (CID 92612154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).