(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol

C12H21N3O — CID 164634234

IUPAC(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCc1cn(C)nc1CNC[C@](C)(O)C1CC1
InChIInChI=1S/C12H21N3O/c1-9-7-15(3)14-11(9)6-13-8-12(2,16)10-4-5-10/h7,10,13,16H,4-6,8H2,1-3H3/t12-/m0/s1
InChIKeyNLVQLSLLHBGSBN-LBPRGKRZSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds5

About (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol

(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol (PubChem CID 164634234) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol
PubChem CID164634234
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol
SMILESCc1cn(C)nc1CNC[C@](C)(O)C1CC1
InChIInChI=1S/C12H21N3O/c1-9-7-15(3)14-11(9)6-13-8-12(2,16)10-4-5-10/h7,10,13,16H,4-6,8H2,1-3H3/t12-/m0/s1
InChIKeyNLVQLSLLHBGSBN-LBPRGKRZSA-N
XLogP0.98
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol (CID 164634234) is (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol is Cc1cn(C)nc1CNC[C@](C)(O)C1CC1.
What is the InChIKey of (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol?
The InChIKey is NLVQLSLLHBGSBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-7-15(3)14-11(9)6-13-8-12(2,16)10-4-5-10/h7,10,13,16H,4-6,8H2,1-3H3/t12-/m0/s1.
What are the key properties of (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol?
(2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclopropyl-1-[(1,4-dimethylpyrazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 164634234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).