N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine

C14H16N4 — CID 66414928

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
SMILESCCn1ccc(CNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C14H16N4/c1-2-18-6-5-11(10-18)8-15-13-3-4-14-12(7-13)9-16-17-14/h3-7,9-10,15H,2,8H2,1H3,(H,16,17)
InChIKeyJTVSNCAIOYJKFK-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.00
Rot. Bonds4

About N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine

N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine (PubChem CID 66414928) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
PubChem CID66414928
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
SMILESCCn1ccc(CNc2ccc3[nH]ncc3c2)c1
InChIInChI=1S/C14H16N4/c1-2-18-6-5-11(10-18)8-15-13-3-4-14-12(7-13)9-16-17-14/h3-7,9-10,15H,2,8H2,1H3,(H,16,17)
InChIKeyJTVSNCAIOYJKFK-UHFFFAOYSA-N
XLogP3.00
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
CID 66413787
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
CID 43782695
N-[(4-butoxyphenyl)methyl]-1H-indazol-5-amine
CID 30983712
N-(thiophen-3-ylmethyl)-1H-indazol-5-amine
CID 43690874
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
N-[(4-cyclopropylphenyl)methyl]-1H-indazol-5-amine
CID 79968714
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine (CID 66414928) is N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine is CCn1ccc(CNc2ccc3[nH]ncc3c2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine?
The InChIKey is JTVSNCAIOYJKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-18-6-5-11(10-18)8-15-13-3-4-14-12(7-13)9-16-17-14/h3-7,9-10,15H,2,8H2,1H3,(H,16,17).
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine?
N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine has a molecular weight of 240.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 66414928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).