5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

C13H14Cl2N4 — CID 114697943

IUPAC5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESClc1ccc(-c2cc(NC3CCNC3)n[nH]2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4/c14-8-1-2-10(11(15)5-8)12-6-13(19-18-12)17-9-3-4-16-7-9/h1-2,5-6,9,16H,3-4,7H2,(H2,17,18,19)
InChIKeyAJBLOPRPRRDIDB-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.16
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (PubChem CID 114697943) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
PubChem CID114697943
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESClc1ccc(-c2cc(NC3CCNC3)n[nH]2)c(Cl)c1
InChIInChI=1S/C13H14Cl2N4/c14-8-1-2-10(11(15)5-8)12-6-13(19-18-12)17-9-3-4-16-7-9/h1-2,5-6,9,16H,3-4,7H2,(H2,17,18,19)
InChIKeyAJBLOPRPRRDIDB-UHFFFAOYSA-N
XLogP3.16
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 114697887
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
7-chloro-N-[(3R)-pyrrolidin-3-yl]quinolin-4-amine
CID 67618697
6-chloro-N-[(3R)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71639835
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 107355298
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697922
N-(2-bromo-5-chlorophenyl)pyrrolidin-3-amine
CID 81264104
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114698096

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (CID 114697943) is 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is Clc1ccc(-c2cc(NC3CCNC3)n[nH]2)c(Cl)c1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The InChIKey is AJBLOPRPRRDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c14-8-1-2-10(11(15)5-8)12-6-13(19-18-12)17-9-3-4-16-7-9/h1-2,5-6,9,16H,3-4,7H2,(H2,17,18,19).
What are the key properties of 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine has a molecular weight of 297.19 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114697943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).