N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine

C11H18FN3 — CID 126775333

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCC(F)C1
InChIInChI=1S/C11H18FN3/c1-7-11(8(2)15-14-7)6-13-10-4-3-9(12)5-10/h9-10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyZFHJJONZQRRWLJ-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.01
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine (PubChem CID 126775333) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
PubChem CID126775333
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCC(F)C1
InChIInChI=1S/C11H18FN3/c1-7-11(8(2)15-14-7)6-13-10-4-3-9(12)5-10/h9-10,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyZFHJJONZQRRWLJ-UHFFFAOYSA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine (CID 126775333) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine is Cc1n[nH]c(C)c1CNC1CCC(F)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine?
The InChIKey is ZFHJJONZQRRWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-7-11(8(2)15-14-7)6-13-10-4-3-9(12)5-10/h9-10,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 126775333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).