5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C16H21ClN4 — CID 79538327

IUPAC5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C16H21ClN4/c1-12(10-14-4-2-7-18-14)20-15-11-13(17)5-6-16(15)21-9-3-8-19-21/h3,5-6,8-9,11-12,14,18,20H,2,4,7,10H2,1H3
InChIKeyYOHYHVSPZHDJDL-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.47
Rot. Bonds5

About 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79538327) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79538327
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCN1)Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C16H21ClN4/c1-12(10-14-4-2-7-18-14)20-15-11-13(17)5-6-16(15)21-9-3-8-19-21/h3,5-6,8-9,11-12,14,18,20H,2,4,7,10H2,1H3
InChIKeyYOHYHVSPZHDJDL-UHFFFAOYSA-N
XLogP3.47
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
CID 63449572
5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
CID 54863788
(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104913192
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
N-(5-chloro-2-pyrazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60927204
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(propan-2-ylamino)propanamide
CID 60927428
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline
CID 63449753
2-N,2-N-dimethyl-3-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridine-2,3-diamine
CID 79541143

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79538327) is 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CC(CC1CCCN1)Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is YOHYHVSPZHDJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-12(10-14-4-2-7-18-14)20-15-11-13(17)5-6-16(15)21-9-3-8-19-21/h3,5-6,8-9,11-12,14,18,20H,2,4,7,10H2,1H3.
What are the key properties of 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 304.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79538327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).