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

C13H14F2N4 — CID 114697923

IUPAC5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESFc1ccc(-c2cc(NC3CCNC3)n[nH]2)cc1F
InChIInChI=1S/C13H14F2N4/c14-10-2-1-8(5-11(10)15)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)
InChIKeyAWNWYXQHSCWGSM-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.13
Rot. Bonds3

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

5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (PubChem CID 114697923) has the molecular formula C13H14F2N4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
PubChem CID114697923
Molecular FormulaC13H14F2N4
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESFc1ccc(-c2cc(NC3CCNC3)n[nH]2)cc1F
InChIInChI=1S/C13H14F2N4/c14-10-2-1-8(5-11(10)15)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)
InChIKeyAWNWYXQHSCWGSM-UHFFFAOYSA-N
XLogP2.13
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697922
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697943
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114698096
N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 114697887
N-(2,5-difluorophenyl)pyrrolidin-3-amine
CID 79737094
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
6,7-difluoro-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 67578682
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (CID 114697923) is 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is Fc1ccc(-c2cc(NC3CCNC3)n[nH]2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The InChIKey is AWNWYXQHSCWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4/c14-10-2-1-8(5-11(10)15)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-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine has a molecular weight of 264.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114697923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).