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

C14H23N5 — CID 60595894

IUPAC3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1CNCC(C)Cn1ccnc1
InChIInChI=1S/C14H23N5/c1-11(9-19-6-5-15-10-19)7-16-8-14-12(2)17-18(4)13(14)3/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyLHCHKIVPIQBTON-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.66
Rot. Bonds6

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

3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 60595894) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID60595894
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1nn(C)c(C)c1CNCC(C)Cn1ccnc1
InChIInChI=1S/C14H23N5/c1-11(9-19-6-5-15-10-19)7-16-8-14-12(2)17-18(4)13(14)3/h5-6,10-11,16H,7-9H2,1-4H3
InChIKeyLHCHKIVPIQBTON-UHFFFAOYSA-N
XLogP1.66
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
1-(2-imidazol-1-ylethyl)-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111950610
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
3-imidazol-1-yl-2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 119110505
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
3-imidazol-1-yl-2-methyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine;hydrochloride
CID 115595862
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
CID 60595533
4-[[[(2S)-1-imidazol-1-ylpropan-2-yl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 94823725
N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (CID 60595894) is 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is Cc1nn(C)c(C)c1CNCC(C)Cn1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is LHCHKIVPIQBTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(9-19-6-5-15-10-19)7-16-8-14-12(2)17-18(4)13(14)3/h5-6,10-11,16H,7-9H2,1-4H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 60595894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).