1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol

C15H19N5O — CID 111969444

IUPAC1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2cccc3cn[nH]c23)cn1
InChIInChI=1S/C15H19N5O/c1-15(21,13-8-18-20(2)9-13)10-16-6-11-4-3-5-12-7-17-19-14(11)12/h3-5,7-9,16,21H,6,10H2,1-2H3,(H,17,19)
InChIKeyWWRYAEBIEHOISD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.29
Rot. Bonds5

About 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol

1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 111969444) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID111969444
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCn1cc(C(C)(O)CNCc2cccc3cn[nH]c23)cn1
InChIInChI=1S/C15H19N5O/c1-15(21,13-8-18-20(2)9-13)10-16-6-11-4-3-5-12-7-17-19-14(11)12/h3-5,7-9,16,21H,6,10H2,1-2H3,(H,17,19)
InChIKeyWWRYAEBIEHOISD-UHFFFAOYSA-N
XLogP1.29
TPSA78.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-indazol-7-ylmethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 111969416
1-[(4-ethylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457689
1-[(2-cyclopentyloxyphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457624
1-[(4-fluoro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457702
(2R)-1-[(4-chloro-2-methylphenyl)methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99626808
1-[[3-(2-methylphenyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457630
(2R)-1-[[4-(2-methylpropyl)phenyl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 97223061
2-(1-methylpyrazol-4-yl)-1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 111457694
1-(methylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66036984
N-(1H-indazol-7-ylmethyl)-2-methylpropan-1-amine
CID 115684234
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
4-[[[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]methyl]-N-methylbenzamide
CID 111457597

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 111969444) is 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol is Cn1cc(C(C)(O)CNCc2cccc3cn[nH]c23)cn1.
What is the InChIKey of 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is WWRYAEBIEHOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-15(21,13-8-18-20(2)9-13)10-16-6-11-4-3-5-12-7-17-19-14(11)12/h3-5,7-9,16,21H,6,10H2,1-2H3,(H,17,19).
What are the key properties of 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol?
1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 285.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-7-ylmethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 111969444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).