N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine

C15H25N5 — CID 114541560

IUPACN-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(C)n(CCCn2cncc2CNC(C)C)n1
InChIInChI=1S/C15H25N5/c1-12(2)17-10-15-9-16-11-19(15)6-5-7-20-14(4)8-13(3)18-20/h8-9,11-12,17H,5-7,10H2,1-4H3
InChIKeyYUSJLONEEHWGNA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds7

About N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine

N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 114541560) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID114541560
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCc1cc(C)n(CCCn2cncc2CNC(C)C)n1
InChIInChI=1S/C15H25N5/c1-12(2)17-10-15-9-16-11-19(15)6-5-7-20-14(4)8-13(3)18-20/h8-9,11-12,17H,5-7,10H2,1-4H3
InChIKeyYUSJLONEEHWGNA-UHFFFAOYSA-N
XLogP2.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methanol
CID 114541583
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111
1-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 114707725
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149306
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
3-(3,5-dimethylpyrazol-1-yl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 115886215
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine (CID 114541560) is N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine is Cc1cc(C)n(CCCn2cncc2CNC(C)C)n1.
What is the InChIKey of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is YUSJLONEEHWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-12(2)17-10-15-9-16-11-19(15)6-5-7-20-14(4)8-13(3)18-20/h8-9,11-12,17H,5-7,10H2,1-4H3.
What are the key properties of N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 114541560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).