5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide

C14H15N5O — CID 63116868

IUPAC5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCn1cc(CNC(=O)c2c[nH]c3ccc(N)cc23)cn1
InChIInChI=1S/C14H15N5O/c1-19-8-9(6-18-19)5-17-14(20)12-7-16-13-3-2-10(15)4-11(12)13/h2-4,6-8,16H,5,15H2,1H3,(H,17,20)
InChIKeyJZFIJUKAVDGWNB-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.41
Rot. Bonds3

About 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide

5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 63116868) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
PubChem CID63116868
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
SMILESCn1cc(CNC(=O)c2c[nH]c3ccc(N)cc23)cn1
InChIInChI=1S/C14H15N5O/c1-19-8-9(6-18-19)5-17-14(20)12-7-16-13-3-2-10(15)4-11(12)13/h2-4,6-8,16H,5,15H2,1H3,(H,17,20)
InChIKeyJZFIJUKAVDGWNB-UHFFFAOYSA-N
XLogP1.41
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 62185630
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide
CID 63116744
5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116779
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
5-amino-2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 103296226
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
2-amino-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 62185127
4-amino-N-[(1-methylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61351154
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide (CID 63116868) is 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide is Cn1cc(CNC(=O)c2c[nH]c3ccc(N)cc23)cn1.
What is the InChIKey of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is JZFIJUKAVDGWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-19-8-9(6-18-19)5-17-14(20)12-7-16-13-3-2-10(15)4-11(12)13/h2-4,6-8,16H,5,15H2,1H3,(H,17,20).
What are the key properties of 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide?
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).