3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride

C22H32ClN5 — CID 171667769

IUPAC3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
SMILESCCCn1nc(C)c(-c2cncn2C(CCN(C)C)c2ccccc2)c1C.Cl
InChIInChI=1S/C22H31N5.ClH/c1-6-13-27-18(3)22(17(2)24-27)21-15-23-16-26(21)20(12-14-25(4)5)19-10-8-7-9-11-19;/h7-11,15-16,20H,6,12-14H2,1-5H3;1H
InChIKeyJNXVZDRTWWFSFT-UHFFFAOYSA-N
MW401.99 g/mol
LogP4.74
Rot. Bonds8

About 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride

3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride (PubChem CID 171667769) has the molecular formula C22H32ClN5 and a molecular weight of 401.99 g/mol. Its IUPAC name is 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
PubChem CID171667769
Molecular FormulaC22H32ClN5
Molecular Weight401.99 g/mol
Exact Mass401.23
IUPAC Name3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride
SMILESCCCn1nc(C)c(-c2cncn2C(CCN(C)C)c2ccccc2)c1C.Cl
InChIInChI=1S/C22H31N5.ClH/c1-6-13-27-18(3)22(17(2)24-27)21-15-23-16-26(21)20(12-14-25(4)5)19-10-8-7-9-11-19;/h7-11,15-16,20H,6,12-14H2,1-5H3;1H
InChIKeyJNXVZDRTWWFSFT-UHFFFAOYSA-N
XLogP4.74
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.99
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(1S)-1-(4-fluorophenyl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612156
4-[3-[(2R)-2-(2-chlorophenoxy)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612154
1-[2-[[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-1-yl]methyl]phenyl]-N,N-dimethylmethanamine
CID 46980228
4-[3-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
CID 92612183
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43818049
1,3-bis[3-(dimethylamino)-1-phenylpropyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;dihydrobromide
CID 3026935
N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
3-(dimethylamino)-1-(2-propylpyrazol-3-yl)propan-1-ol
CID 115345864
[3-(1-phenylpropyl)imidazol-4-yl]methanamine
CID 66151583
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-3-methylimidazole-4-carboxamide
CID 125173754
3-phenyl-3-(5-propylimidazol-1-yl)propanoic acid
CID 134371003
5-(3,5-dimethyl-1-propylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 79048835

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride (CID 171667769) is 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride is CCCn1nc(C)c(-c2cncn2C(CCN(C)C)c2ccccc2)c1C.Cl.
What is the InChIKey of 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride?
The InChIKey is JNXVZDRTWWFSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5.ClH/c1-6-13-27-18(3)22(17(2)24-27)21-15-23-16-26(21)20(12-14-25(4)5)19-10-8-7-9-11-19;/h7-11,15-16,20H,6,12-14H2,1-5H3;1H.
What are the key properties of 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride?
3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride has a molecular weight of 401.99 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dimethyl-1-propylpyrazol-4-yl)imidazol-1-yl]-N,N-dimethyl-3-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 171667769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).