[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine

C19H18N4 — CID 25253893

IUPAC[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine
SMILESCn1ncc(-c2cc3cc(CN)ccc3[nH]2)c1-c1ccccc1
InChIInChI=1S/C19H18N4/c1-23-19(14-5-3-2-4-6-14)16(12-21-23)18-10-15-9-13(11-20)7-8-17(15)22-18/h2-10,12,22H,11,20H2,1H3
InChIKeyZXKMJBXMMIOPKN-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.69
Rot. Bonds3

About [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine

[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine (PubChem CID 25253893) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine
PubChem CID25253893
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine
SMILESCn1ncc(-c2cc3cc(CN)ccc3[nH]2)c1-c1ccccc1
InChIInChI=1S/C19H18N4/c1-23-19(14-5-3-2-4-6-14)16(12-21-23)18-10-15-9-13(11-20)7-8-17(15)22-18/h2-10,12,22H,11,20H2,1H3
InChIKeyZXKMJBXMMIOPKN-UHFFFAOYSA-N
XLogP3.69
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-1H-indol-5-yl)methanol
CID 44577788
[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980361
5-[5-(aminomethyl)-1H-indol-2-yl]-1,3,4-thiadiazol-2-amine
CID 137242104
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
4-[5-(aminomethyl)-1H-indol-2-yl]-2-(trifluoromethyl)aniline
CID 25254992
2-(2-bromophenyl)-5-ethyl-1H-indole;carbon dioxide
CID 159351234
[3-(2-methyl-1H-indol-5-yl)phenyl]methanamine
CID 116996249
5-[4-(aminomethyl)phenyl]-1-methylpyrazole-4-carbaldehyde
CID 174489258
(3,4-diphenylphenyl)methanamine
CID 174401792
(1-methyl-5-phenylpyrazol-4-yl)boronic acid
CID 91800306
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803

Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine?
The IUPAC name of [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine (CID 25253893) is [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine.
What is the SMILES notation for [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine?
The canonical SMILES for [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine is Cn1ncc(-c2cc3cc(CN)ccc3[nH]2)c1-c1ccccc1.
What is the InChIKey of [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine?
The InChIKey is ZXKMJBXMMIOPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-23-19(14-5-3-2-4-6-14)16(12-21-23)18-10-15-9-13(11-20)7-8-17(15)22-18/h2-10,12,22H,11,20H2,1H3.
What are the key properties of [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine?
[2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine has a molecular weight of 302.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-5-phenylpyrazol-4-yl)-1H-indol-5-yl]methanamine is sourced from PubChem (CID 25253893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).