3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline

C16H19N5 — CID 103818766

IUPAC3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2cccc(-n3ccnc3)c2)cn1
InChIInChI=1S/C16H19N5/c1-2-7-21-12-14(11-19-21)10-18-15-4-3-5-16(9-15)20-8-6-17-13-20/h3-6,8-9,11-13,18H,2,7,10H2,1H3
InChIKeyCQUDPMJNDYSQHU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds6

About 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline

3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline (PubChem CID 103818766) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
PubChem CID103818766
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline
SMILESCCCn1cc(CNc2cccc(-n3ccnc3)c2)cn1
InChIInChI=1S/C16H19N5/c1-2-7-21-12-14(11-19-21)10-18-15-4-3-5-16(9-15)20-8-6-17-13-20/h3-6,8-9,11-13,18H,2,7,10H2,1H3
InChIKeyCQUDPMJNDYSQHU-UHFFFAOYSA-N
XLogP3.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-propylpyrazol-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 103818160
3-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130531
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
N-[(1-ethylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 103818746
3-chloro-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103818064
3-imidazol-1-yl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756648
4-[(3-imidazol-1-ylanilino)methyl]phenol
CID 43678301
1-propyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrazole
CID 103571457
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]aniline
CID 43678312
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
3-(2-methylpropoxy)-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 103720534

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline (CID 103818766) is 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline is CCCn1cc(CNc2cccc(-n3ccnc3)c2)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline?
The InChIKey is CQUDPMJNDYSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-7-21-12-14(11-19-21)10-18-15-4-3-5-16(9-15)20-8-6-17-13-20/h3-6,8-9,11-13,18H,2,7,10H2,1H3.
What are the key properties of 3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline?
3-imidazol-1-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline has a molecular weight of 281.36 g/mol, XLogP of 3.09, 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-N-[(1-propylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 103818766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).