N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine

C13H21N5O — CID 114660191

IUPACN-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncn1C)c1c(OC)cnn1C
InChIInChI=1S/C13H21N5O/c1-5-6-15-12(10-7-14-9-17(10)2)13-11(19-4)8-16-18(13)3/h7-9,12,15H,5-6H2,1-4H3
InChIKeyJFMHVKAZMHPZOC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds6

About N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine

N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 114660191) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID114660191
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncn1C)c1c(OC)cnn1C
InChIInChI=1S/C13H21N5O/c1-5-6-15-12(10-7-14-9-17(10)2)13-11(19-4)8-16-18(13)3/h7-9,12,15H,5-6H2,1-4H3
InChIKeyJFMHVKAZMHPZOC-UHFFFAOYSA-N
XLogP1.25
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660187
N-[(4-methoxy-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374801
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
N-[(4-chloro-3-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047098
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
N-[(2-chloro-4-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114650305
N-[(4-bromo-3-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047345
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 114660191) is N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine is CCCNC(c1cncn1C)c1c(OC)cnn1C.
What is the InChIKey of N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is JFMHVKAZMHPZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-5-6-15-12(10-7-14-9-17(10)2)13-11(19-4)8-16-18(13)3/h7-9,12,15H,5-6H2,1-4H3.
What are the key properties of N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine?
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 263.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114660191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).