1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

C14H23N5 — CID 107977898

IUPAC1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1cn(C)cn1
InChIInChI=1S/C14H23N5/c1-4-7-15-13(14-10-18(2)11-16-14)6-5-12-8-17-19(3)9-12/h8-11,13,15H,4-7H2,1-3H3
InChIKeySYTWFGOBEVCBKH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds7

About 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine

1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 107977898) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID107977898
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1cnn(C)c1)c1cn(C)cn1
InChIInChI=1S/C14H23N5/c1-4-7-15-13(14-10-18(2)11-16-14)6-5-12-8-17-19(3)9-12/h8-11,13,15H,4-7H2,1-3H3
InChIKeySYTWFGOBEVCBKH-UHFFFAOYSA-N
XLogP1.83
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
3-(1-methylpyrazol-4-yl)-1-(4-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 103011529
1-(5-methylfuran-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030136
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
1-(2,3-dimethylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030048
1-(2-bromo-4-methylphenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030121
1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010148
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
CID 103029553
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 107977898) is 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1cnn(C)c1)c1cn(C)cn1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is SYTWFGOBEVCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-7-15-13(14-10-18(2)11-16-14)6-5-12-8-17-19(3)9-12/h8-11,13,15H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 107977898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).