N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine

C17H20N4 — CID 66414199

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESCCn1ccc(CNCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C17H20N4/c1-2-21-10-8-15(13-21)12-18-11-14-3-5-16(6-4-14)17-7-9-19-20-17/h3-10,13,18H,2,11-12H2,1H3,(H,19,20)
InChIKeyIERITXBREMVVIK-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.19
Rot. Bonds6

About N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine

N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine (PubChem CID 66414199) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
PubChem CID66414199
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESCCn1ccc(CNCc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C17H20N4/c1-2-21-10-8-15(13-21)12-18-11-14-3-5-16(6-4-14)17-7-9-19-20-17/h3-10,13,18H,2,11-12H2,1H3,(H,19,20)
InChIKeyIERITXBREMVVIK-UHFFFAOYSA-N
XLogP3.19
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 66415561
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]thiophen-3-amine
CID 66387981
2-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]aniline
CID 66418255
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 61240789
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
CID 104879109
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698750
5-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]furan-2-carbonitrile
CID 115653945

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine (CID 66414199) is N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine is CCn1ccc(CNCc2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The InChIKey is IERITXBREMVVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-21-10-8-15(13-21)12-18-11-14-3-5-16(6-4-14)17-7-9-19-20-17/h3-10,13,18H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
N-[(1-ethylpyrrol-3-yl)methyl]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine has a molecular weight of 280.38 g/mol, XLogP of 3.19, 6 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]-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 66414199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).