N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide

C20H23N5O — CID 90037556

IUPACN-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)CCc2[nH]nc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1
InChIInChI=1S/C20H23N5O/c1-20(2)9-8-17-16(10-20)18(24-23-17)19(26)22-15-11-21-25(13-15)12-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyHRFBSHHNIMWMNO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.42
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 90037556) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide
PubChem CID90037556
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)CCc2[nH]nc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1
InChIInChI=1S/C20H23N5O/c1-20(2)9-8-17-16(10-20)18(24-23-17)19(26)22-15-11-21-25(13-15)12-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyHRFBSHHNIMWMNO-UHFFFAOYSA-N
XLogP3.42
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide (CID 90037556) is N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide is CC1(C)CCc2[nH]nc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HRFBSHHNIMWMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-20(2)9-8-17-16(10-20)18(24-23-17)19(26)22-15-11-21-25(13-15)12-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 90037556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).