4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

C15H15N5 — CID 75389926

IUPAC4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNc2ccc3[nH]ncc3c2)cc(C#N)n1C
InChIInChI=1S/C15H15N5/c1-10-11(6-14(7-16)20(10)2)8-17-13-3-4-15-12(5-13)9-18-19-15/h3-6,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyWAGSBRMICDCAJV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.69
Rot. Bonds3

About 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile

4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (PubChem CID 75389926) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
PubChem CID75389926
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
SMILESCc1c(CNc2ccc3[nH]ncc3c2)cc(C#N)n1C
InChIInChI=1S/C15H15N5/c1-10-11(6-14(7-16)20(10)2)8-17-13-3-4-15-12(5-13)9-18-19-15/h3-6,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyWAGSBRMICDCAJV-UHFFFAOYSA-N
XLogP2.69
TPSA69.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115584985
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
CID 115742362
4-[[(6-chloro-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 113353601
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
4-[(3-bromoanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115584961
1,5-dimethyl-4-[[3-(1H-1,2,4-triazol-5-yl)anilino]methyl]pyrrole-2-carbonitrile
CID 75432402
4-[(3-chloro-4-hydroxyanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 107678296
N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338
4-[(4-ethoxy-3-fluoroanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115587245
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1H-indazol-5-amine
CID 75386369

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile (CID 75389926) is 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is Cc1c(CNc2ccc3[nH]ncc3c2)cc(C#N)n1C.
What is the InChIKey of 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
The InChIKey is WAGSBRMICDCAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-11(6-14(7-16)20(10)2)8-17-13-3-4-15-12(5-13)9-18-19-15/h3-6,9,17H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile?
4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile is sourced from PubChem (CID 75389926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).