N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C17H23ClN6O — CID 74249557

IUPACN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN(C)CCCc2nccn2C)no1
InChIInChI=1S/C17H23ClN6O/c1-12-10-14(21-25-12)16-13(17(18)24(4)20-16)11-22(2)8-5-6-15-19-7-9-23(15)3/h7,9-10H,5-6,8,11H2,1-4H3
InChIKeyHOHCGWUEQNSNEU-UHFFFAOYSA-N
MW362.87 g/mol
LogP2.84
Rot. Bonds7

About N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 74249557) has the molecular formula C17H23ClN6O and a molecular weight of 362.87 g/mol. Its IUPAC name is N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID74249557
Molecular FormulaC17H23ClN6O
Molecular Weight362.87 g/mol
Exact Mass362.16
IUPAC NameN-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1cc(-c2nn(C)c(Cl)c2CN(C)CCCc2nccn2C)no1
InChIInChI=1S/C17H23ClN6O/c1-12-10-14(21-25-12)16-13(17(18)24(4)20-16)11-22(2)8-5-6-15-19-7-9-23(15)3/h7,9-10H,5-6,8,11H2,1-4H3
InChIKeyHOHCGWUEQNSNEU-UHFFFAOYSA-N
XLogP2.84
TPSA64.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.87
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

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N-methyl-3-(1-methylimidazol-2-yl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 91834068
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
(3R)-1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 95872677
N,N'-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63024435
3-[5-chloro-4-[[9-(3,3-dimethylbutyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1-methylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083536
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 77095726
N-methyl-3-(1-methylimidazol-2-yl)-N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 77098175
1-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-(3-methylbutyl)pyrrolidin-3-amine
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3-[5-chloro-1-methyl-4-[[2-(2-phenylethyl)-2,7-diazaspiro[3.4]octan-7-yl]methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole
CID 166083689

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 74249557) is N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is Cc1cc(-c2nn(C)c(Cl)c2CN(C)CCCc2nccn2C)no1.
What is the InChIKey of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is HOHCGWUEQNSNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O/c1-12-10-14(21-25-12)16-13(17(18)24(4)20-16)11-22(2)8-5-6-15-19-7-9-23(15)3/h7,9-10H,5-6,8,11H2,1-4H3.
What are the key properties of N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 362.87 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl]-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 74249557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).