3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

C9H14ClF2N3O — CID 103731559

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1nn(C)c(Cl)c1CNCC(O)C(F)F
InChIInChI=1S/C9H14ClF2N3O/c1-5-6(8(10)15(2)14-5)3-13-4-7(16)9(11)12/h7,9,13,16H,3-4H2,1-2H3
InChIKeyGWCPWTVLHSORNA-UHFFFAOYSA-N
MW253.68 g/mol
LogP1.10
Rot. Bonds5

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 103731559) has the molecular formula C9H14ClF2N3O and a molecular weight of 253.68 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID103731559
Molecular FormulaC9H14ClF2N3O
Molecular Weight253.68 g/mol
Exact Mass253.08
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
SMILESCc1nn(C)c(Cl)c1CNCC(O)C(F)F
InChIInChI=1S/C9H14ClF2N3O/c1-5-6(8(10)15(2)14-5)3-13-4-7(16)9(11)12/h7,9,13,16H,3-4H2,1-2H3
InChIKeyGWCPWTVLHSORNA-UHFFFAOYSA-N
XLogP1.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol (CID 103731559) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is Cc1nn(C)c(Cl)c1CNCC(O)C(F)F.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is GWCPWTVLHSORNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF2N3O/c1-5-6(8(10)15(2)14-5)3-13-4-7(16)9(11)12/h7,9,13,16H,3-4H2,1-2H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 253.68 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103731559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).