N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

C15H23N5 — CID 114536380

IUPACN-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCNCc2cncn2C2CC2)n1
InChIInChI=1S/C15H23N5/c1-12-8-13(2)20(18-12)7-3-6-16-9-15-10-17-11-19(15)14-4-5-14/h8,10-11,14,16H,3-7,9H2,1-2H3
InChIKeyBYHDYLJTOIIVMJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.21
Rot. Bonds7

About N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine

N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (PubChem CID 114536380) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
PubChem CID114536380
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
SMILESCc1cc(C)n(CCCNCc2cncn2C2CC2)n1
InChIInChI=1S/C15H23N5/c1-12-8-13(2)20(18-12)7-3-6-16-9-15-10-17-11-19(15)14-4-5-14/h8,10-11,14,16H,3-7,9H2,1-2H3
InChIKeyBYHDYLJTOIIVMJ-UHFFFAOYSA-N
XLogP2.21
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
N-[(3-cyclohexylimidazol-4-yl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-methylethanamine
CID 91841195
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
2-[(3-cyclopropylimidazol-4-yl)methylamino]-N-ethylethanesulfonamide
CID 106334710
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-phenoxypropan-1-amine
CID 66140006
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115582616
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 115609211
N-[2-[(3-cyclopropylimidazol-4-yl)methylamino]ethyl]-2-methylpropanamide
CID 66162278
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 86808394
2-[(3-cyclopropylimidazol-4-yl)methylamino]ethylurea
CID 83109168

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine (CID 114536380) is N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is Cc1cc(C)n(CCCNCc2cncn2C2CC2)n1.
What is the InChIKey of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
The InChIKey is BYHDYLJTOIIVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12-8-13(2)20(18-12)7-3-6-16-9-15-10-17-11-19(15)14-4-5-14/h8,10-11,14,16H,3-7,9H2,1-2H3.
What are the key properties of N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine?
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropylimidazol-4-yl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 114536380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).