1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine

C12H19F2N5 — CID 89456702

IUPAC1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
SMILESNc1cnn(C2CC2)c1N1CCC(N)CC(F)(F)C1
InChIInChI=1S/C12H19F2N5/c13-12(14)5-8(15)3-4-18(7-12)11-10(16)6-17-19(11)9-1-2-9/h6,8-9H,1-5,7,15-16H2
InChIKeyDPFUJQUQNIJIQF-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.36
Rot. Bonds2

About 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine

1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine (PubChem CID 89456702) has the molecular formula C12H19F2N5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine.

Molecular Properties

Compound Name1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
PubChem CID89456702
Molecular FormulaC12H19F2N5
Molecular Weight271.31 g/mol
Exact Mass271.16
IUPAC Name1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
SMILESNc1cnn(C2CC2)c1N1CCC(N)CC(F)(F)C1
InChIInChI=1S/C12H19F2N5/c13-12(14)5-8(15)3-4-18(7-12)11-10(16)6-17-19(11)9-1-2-9/h6,8-9H,1-5,7,15-16H2
InChIKeyDPFUJQUQNIJIQF-UHFFFAOYSA-N
XLogP1.36
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine?
The IUPAC name of 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine (CID 89456702) is 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine.
What is the SMILES notation for 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine?
The canonical SMILES for 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine is Nc1cnn(C2CC2)c1N1CCC(N)CC(F)(F)C1.
What is the InChIKey of 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine?
The InChIKey is DPFUJQUQNIJIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N5/c13-12(14)5-8(15)3-4-18(7-12)11-10(16)6-17-19(11)9-1-2-9/h6,8-9H,1-5,7,15-16H2.
What are the key properties of 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine?
1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine has a molecular weight of 271.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-cyclopropylpyrazol-5-yl)-6,6-difluoroazepan-4-amine is sourced from PubChem (CID 89456702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).