[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine

C16H19N5 — CID 103573751

IUPAC[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine
SMILESCCCn1cc(-c2cncn2-c2cccc(CN)c2)cn1
InChIInChI=1S/C16H19N5/c1-2-6-20-11-14(9-19-20)16-10-18-12-21(16)15-5-3-4-13(7-15)8-17/h3-5,7,9-12H,2,6,8,17H2,1H3
InChIKeyZFBZZPOOFSQJBU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.60
Rot. Bonds5

About [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine

[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine (PubChem CID 103573751) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine
PubChem CID103573751
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine
SMILESCCCn1cc(-c2cncn2-c2cccc(CN)c2)cn1
InChIInChI=1S/C16H19N5/c1-2-6-20-11-14(9-19-20)16-10-18-12-21(16)15-5-3-4-13(7-15)8-17/h3-5,7,9-12H,2,6,8,17H2,1H3
InChIKeyZFBZZPOOFSQJBU-UHFFFAOYSA-N
XLogP2.60
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717172
[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
CID 171364566
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
5-(1-ethylpyrazol-4-yl)-1-methylimidazol-2-amine
CID 131019738
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
(3-imidazo[4,5-b]pyridin-3-ylphenyl)methanamine
CID 82512850
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
N-methylsulfanyl-3-(1-propylpyrazol-4-yl)aniline
CID 154687703
2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164607150
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665

Frequently Asked Questions

What is the IUPAC name of [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine?
The IUPAC name of [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine (CID 103573751) is [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine?
The canonical SMILES for [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine is CCCn1cc(-c2cncn2-c2cccc(CN)c2)cn1.
What is the InChIKey of [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine?
The InChIKey is ZFBZZPOOFSQJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-6-20-11-14(9-19-20)16-10-18-12-21(16)15-5-3-4-13(7-15)8-17/h3-5,7,9-12H,2,6,8,17H2,1H3.
What are the key properties of [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine?
[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 103573751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).