N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline

C16H18N4 — CID 66412112

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
SMILESCCn1cccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H18N4/c1-2-19-11-3-5-16(19)13-17-14-6-8-15(9-7-14)20-12-4-10-18-20/h3-12,17H,2,13H2,1H3
InChIKeyKPRQZDLSUNVRJU-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.31
Rot. Bonds5

About N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline

N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline (PubChem CID 66412112) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
PubChem CID66412112
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
SMILESCCn1cccc1CNc1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H18N4/c1-2-19-11-3-5-16(19)13-17-14-6-8-15(9-7-14)20-12-4-10-18-20/h3-12,17H,2,13H2,1H3
InChIKeyKPRQZDLSUNVRJU-UHFFFAOYSA-N
XLogP3.31
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-4-iodoaniline
CID 66413470
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 66411151
N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
CID 66411904
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324
N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
CID 66411078
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 78885226
N-(2-methylpentyl)-4-pyrazol-1-ylaniline
CID 43688134
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410714
N-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 43688256

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline (CID 66412112) is N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline is CCn1cccc1CNc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline?
The InChIKey is KPRQZDLSUNVRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-19-11-3-5-16(19)13-17-14-6-8-15(9-7-14)20-12-4-10-18-20/h3-12,17H,2,13H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline has a molecular weight of 266.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline is sourced from PubChem (CID 66412112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).