2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol

C14H19N3O — CID 64808985

IUPAC2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(Cn1ncc2ccccc21)C1CC1
InChIInChI=1S/C14H19N3O/c1-15-14(10-18,12-6-7-12)9-17-13-5-3-2-4-11(13)8-16-17/h2-5,8,12,15,18H,6-7,9-10H2,1H3
InChIKeyFZVBKLPDYNNMQK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.40
Rot. Bonds5

About 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol

2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol (PubChem CID 64808985) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol
PubChem CID64808985
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(Cn1ncc2ccccc21)C1CC1
InChIInChI=1S/C14H19N3O/c1-15-14(10-18,12-6-7-12)9-17-13-5-3-2-4-11(13)8-16-17/h2-5,8,12,15,18H,6-7,9-10H2,1H3
InChIKeyFZVBKLPDYNNMQK-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol (CID 64808985) is 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol is CNC(CO)(Cn1ncc2ccccc21)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol?
The InChIKey is FZVBKLPDYNNMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-14(10-18,12-6-7-12)9-17-13-5-3-2-4-11(13)8-16-17/h2-5,8,12,15,18H,6-7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-indazol-1-yl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64808985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).