1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol

C10H19N3O — CID 115882823

IUPAC1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccn[nH]1)C(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)13(6-9(3)14)7-10-4-5-11-12-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,11,12)
InChIKeyKBWXURSKJSZPCZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.00
Rot. Bonds5

About 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol

1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol (PubChem CID 115882823) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
PubChem CID115882823
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
SMILESCC(O)CN(Cc1ccn[nH]1)C(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)13(6-9(3)14)7-10-4-5-11-12-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,11,12)
InChIKeyKBWXURSKJSZPCZ-UHFFFAOYSA-N
XLogP1.00
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol (CID 115882823) is 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol is CC(O)CN(Cc1ccn[nH]1)C(C)C.
What is the InChIKey of 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The InChIKey is KBWXURSKJSZPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)13(6-9(3)14)7-10-4-5-11-12-10/h4-5,8-9,14H,6-7H2,1-3H3,(H,11,12).
What are the key properties of 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[propan-2-yl(1H-pyrazol-5-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 115882823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).