N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine

C14H16N4 — CID 66411940

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine
SMILESCCn1cccc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H16N4/c1-2-18-8-4-6-12(18)10-15-13-7-3-5-11-9-16-17-14(11)13/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyYGXRQEJHJCCVMA-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.00
Rot. Bonds4

About N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine

N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine (PubChem CID 66411940) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine
PubChem CID66411940
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine
SMILESCCn1cccc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C14H16N4/c1-2-18-8-4-6-12(18)10-15-13-7-3-5-11-9-16-17-14(11)13/h3-9,15H,2,10H2,1H3,(H,16,17)
InChIKeyYGXRQEJHJCCVMA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine (CID 66411940) is N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine is CCn1cccc1CNc1cccc2cn[nH]c12.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine?
The InChIKey is YGXRQEJHJCCVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-18-8-4-6-12(18)10-15-13-7-3-5-11-9-16-17-14(11)13/h3-9,15H,2,10H2,1H3,(H,16,17).
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-1H-indazol-7-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-2-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 66411940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).