N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine

C15H18N4 — CID 66413787

IUPACN-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
SMILESCCCn1ccc(CNc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H18N4/c1-2-6-19-7-5-12(11-19)9-16-14-4-3-13-10-17-18-15(13)8-14/h3-5,7-8,10-11,16H,2,6,9H2,1H3,(H,17,18)
InChIKeyJFIKGJQEEYWLHF-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.39
Rot. Bonds5

About N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine

N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine (PubChem CID 66413787) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
PubChem CID66413787
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
SMILESCCCn1ccc(CNc2ccc3cn[nH]c3c2)c1
InChIInChI=1S/C15H18N4/c1-2-6-19-7-5-12(11-19)9-16-14-4-3-13-10-17-18-15(13)8-14/h3-5,7-8,10-11,16H,2,6,9H2,1H3,(H,17,18)
InChIKeyJFIKGJQEEYWLHF-UHFFFAOYSA-N
XLogP3.39
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
CID 66414928
N-[(4-ethylphenyl)methyl]-1H-indazol-6-amine
CID 43743407
N-[(1-ethylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 103569324
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66397542
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1H-indazol-6-amine
CID 83090155
2-ethyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66416145
N-[(5-ethylfuran-2-yl)methyl]-1H-indazol-6-amine
CID 62345636

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine (CID 66413787) is N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine is CCCn1ccc(CNc2ccc3cn[nH]c3c2)c1.
What is the InChIKey of N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine?
The InChIKey is JFIKGJQEEYWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-6-19-7-5-12(11-19)9-16-14-4-3-13-10-17-18-15(13)8-14/h3-5,7-8,10-11,16H,2,6,9H2,1H3,(H,17,18).
What are the key properties of N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine?
N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine has a molecular weight of 254.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 66413787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).