1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine

C12H19FN4 — CID 89484140

IUPAC1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine
SMILESNc1cnn(C2CC2)c1N1CCC[C@@H](F)CC1
InChIInChI=1S/C12H19FN4/c13-9-2-1-6-16(7-5-9)12-11(14)8-15-17(12)10-3-4-10/h8-10H,1-7,14H2/t9-/m1/s1
InChIKeyCQARYQARQFWFLK-SECBINFHSA-N
MW238.31 g/mol
LogP2.13
Rot. Bonds2

About 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine

1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine (PubChem CID 89484140) has the molecular formula C12H19FN4 and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine
PubChem CID89484140
Molecular FormulaC12H19FN4
Molecular Weight238.31 g/mol
Exact Mass238.16
IUPAC Name1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine
SMILESNc1cnn(C2CC2)c1N1CCC[C@@H](F)CC1
InChIInChI=1S/C12H19FN4/c13-9-2-1-6-16(7-5-9)12-11(14)8-15-17(12)10-3-4-10/h8-10H,1-7,14H2/t9-/m1/s1
InChIKeyCQARYQARQFWFLK-SECBINFHSA-N
XLogP2.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine?
The IUPAC name of 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine (CID 89484140) is 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine.
What is the SMILES notation for 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine?
The canonical SMILES for 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine is Nc1cnn(C2CC2)c1N1CCC[C@@H](F)CC1.
What is the InChIKey of 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine?
The InChIKey is CQARYQARQFWFLK-SECBINFHSA-N. The full InChI is InChI=1S/C12H19FN4/c13-9-2-1-6-16(7-5-9)12-11(14)8-15-17(12)10-3-4-10/h8-10H,1-7,14H2/t9-/m1/s1.
What are the key properties of 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine?
1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine has a molecular weight of 238.31 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(4R)-4-fluoroazepan-1-yl]pyrazol-4-amine is sourced from PubChem (CID 89484140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).