5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

C14H18N4O2S — CID 114697922

IUPAC5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(NC3CCNC3)n[nH]2)cc1
InChIInChI=1S/C14H18N4O2S/c1-21(19,20)12-4-2-10(3-5-12)13-8-14(18-17-13)16-11-6-7-15-9-11/h2-5,8,11,15H,6-7,9H2,1H3,(H2,16,17,18)
InChIKeyFFCNQVKZJGVXAC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.25
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (PubChem CID 114697922) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
PubChem CID114697922
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(NC3CCNC3)n[nH]2)cc1
InChIInChI=1S/C14H18N4O2S/c1-21(19,20)12-4-2-10(3-5-12)13-8-14(18-17-13)16-11-6-7-15-9-11/h2-5,8,11,15H,6-7,9H2,1H3,(H2,16,17,18)
InChIKeyFFCNQVKZJGVXAC-UHFFFAOYSA-N
XLogP1.25
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
N,N-dimethyl-6-(pyrrolidin-3-ylamino)pyridine-3-sulfonamide
CID 103341109
N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 114697887
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
2-methyl-4-(4-methylsulfonylphenyl)-6-[(3S)-pyrrolidin-3-yl]pyrimidine
CID 95825585
5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 63530445
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697943
4-[3-(cyclopropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63048314
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (CID 114697922) is 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is CS(=O)(=O)c1ccc(-c2cc(NC3CCNC3)n[nH]2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The InChIKey is FFCNQVKZJGVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-21(19,20)12-4-2-10(3-5-12)13-8-14(18-17-13)16-11-6-7-15-9-11/h2-5,8,11,15H,6-7,9H2,1H3,(H2,16,17,18).
What are the key properties of 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine has a molecular weight of 306.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114697922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).