4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline

C14H14N4 — CID 62329569

IUPAC4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESc1c[nH]c(CNc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C14H14N4/c1-2-13(15-8-1)10-16-12-5-3-11(4-6-12)14-7-9-17-18-14/h1-9,15-16H,10H2,(H,17,18)
InChIKeyDTDOALGPBHCJND-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds4

About 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline

4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62329569) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62329569
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESc1c[nH]c(CNc2ccc(-c3ccn[nH]3)cc2)c1
InChIInChI=1S/C14H14N4/c1-2-13(15-8-1)10-16-12-5-3-11(4-6-12)14-7-9-17-18-14/h1-9,15-16H,10H2,(H,17,18)
InChIKeyDTDOALGPBHCJND-UHFFFAOYSA-N
XLogP3.02
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329060
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 43733257
N-[(3-bromophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733262
4-(1,3-oxazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060081
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759823
4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
4-pentyl-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62327186
N-[(3-chloro-5-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 114452531
N-(2,2-dimethoxyethyl)-4-(1H-pyrazol-5-yl)aniline
CID 63697596
N-(1H-pyrrol-2-ylmethyl)-4-(trifluoromethylsulfanyl)aniline
CID 62328046
2,2-dimethyl-3-[4-(1H-pyrazol-5-yl)anilino]propan-1-ol
CID 81412237

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62329569) is 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline is c1c[nH]c(CNc2ccc(-c3ccn[nH]3)cc2)c1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is DTDOALGPBHCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-13(15-8-1)10-16-12-5-3-11(4-6-12)14-7-9-17-18-14/h1-9,15-16H,10H2,(H,17,18).
What are the key properties of 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline?
4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 238.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62329569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).