(1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol

C22H22N4O — CID 171533993

IUPAC(1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol
SMILESC=C(C)c1c(-c2cccc3nn(C[C@H](O)c4ccccc4)cc23)n[nH]c1C
InChIInChI=1S/C22H22N4O/c1-14(2)21-15(3)23-24-22(21)17-10-7-11-19-18(17)12-26(25-19)13-20(27)16-8-5-4-6-9-16/h4-12,20,27H,1,13H2,2-3H3,(H,23,24)/t20-/m0/s1
InChIKeyGQJWXANXJPMDOJ-FQEVSTJZSA-N
MW358.45 g/mol
LogP4.50
Rot. Bonds5

About (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol

(1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol (PubChem CID 171533993) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol
PubChem CID171533993
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name(1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol
SMILESC=C(C)c1c(-c2cccc3nn(C[C@H](O)c4ccccc4)cc23)n[nH]c1C
InChIInChI=1S/C22H22N4O/c1-14(2)21-15(3)23-24-22(21)17-10-7-11-19-18(17)12-26(25-19)13-20(27)16-8-5-4-6-9-16/h4-12,20,27H,1,13H2,2-3H3,(H,23,24)/t20-/m0/s1
InChIKeyGQJWXANXJPMDOJ-FQEVSTJZSA-N
XLogP4.50
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol (CID 171533993) is (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol is C=C(C)c1c(-c2cccc3nn(C[C@H](O)c4ccccc4)cc23)n[nH]c1C.
What is the InChIKey of (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol?
The InChIKey is GQJWXANXJPMDOJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O/c1-14(2)21-15(3)23-24-22(21)17-10-7-11-19-18(17)12-26(25-19)13-20(27)16-8-5-4-6-9-16/h4-12,20,27H,1,13H2,2-3H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol?
(1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol has a molecular weight of 358.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(5-methyl-4-prop-1-en-2-yl-1H-pyrazol-3-yl)indazol-2-yl]-1-phenylethanol is sourced from PubChem (CID 171533993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).