3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide

C20H23N5O3 — CID 46964164

IUPAC3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCc3n[nH]c4c3CCCC4)[nH]n2)c1
InChIInChI=1S/C20H23N5O3/c1-27-12-7-8-19(28-2)14(9-12)16-10-17(24-23-16)20(26)21-11-18-13-5-3-4-6-15(13)22-25-18/h7-10H,3-6,11H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeySTCZWZICWXZPJQ-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.63
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46964164) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46964164
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCc3n[nH]c4c3CCCC4)[nH]n2)c1
InChIInChI=1S/C20H23N5O3/c1-27-12-7-8-19(28-2)14(9-12)16-10-17(24-23-16)20(26)21-11-18-13-5-3-4-6-15(13)22-25-18/h7-10H,3-6,11H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)
InChIKeySTCZWZICWXZPJQ-UHFFFAOYSA-N
XLogP2.63
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46964164) is 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCc3n[nH]c4c3CCCC4)[nH]n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is STCZWZICWXZPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-27-12-7-8-19(28-2)14(9-12)16-10-17(24-23-16)20(26)21-11-18-13-5-3-4-6-15(13)22-25-18/h7-10H,3-6,11H2,1-2H3,(H,21,26)(H,22,25)(H,23,24).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46964164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).