5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

C14H17FN4O — CID 114698005

IUPAC5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESCOc1cccc(F)c1-c1cc(NC2CCNC2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-20-12-4-2-3-10(15)14(12)11-7-13(19-18-11)17-9-5-6-16-8-9/h2-4,7,9,16H,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyKQUUWJSRNPCJEL-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.00
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (PubChem CID 114698005) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
PubChem CID114698005
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESCOc1cccc(F)c1-c1cc(NC2CCNC2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-20-12-4-2-3-10(15)14(12)11-7-13(19-18-11)17-9-5-6-16-8-9/h2-4,7,9,16H,5-6,8H2,1H3,(H2,17,18,19)
InChIKeyKQUUWJSRNPCJEL-UHFFFAOYSA-N
XLogP2.00
TPSA61.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]piperidin-4-amine
CID 114698096
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
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
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697943
5-(2-fluoro-6-methoxyphenyl)-3-(2-fluorophenyl)-1H-pyrazole
CID 134329207
6-(4-methoxyphenyl)-2-methyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 82191981
5-fluoro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 58254860
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (CID 114698005) is 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is COc1cccc(F)c1-c1cc(NC2CCNC2)n[nH]1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The InChIKey is KQUUWJSRNPCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-20-12-4-2-3-10(15)14(12)11-7-13(19-18-11)17-9-5-6-16-8-9/h2-4,7,9,16H,5-6,8H2,1H3,(H2,17,18,19).
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine has a molecular weight of 276.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114698005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).