N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

C24H29N5O3 — CID 155512315

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(NC4CCN(C)CC4)cc3)n[nH]2)cc1OC
InChIInChI=1S/C24H29N5O3/c1-29-12-10-19(11-13-29)25-18-7-4-16(5-8-18)24(30)26-23-15-20(27-28-23)17-6-9-21(31-2)22(14-17)32-3/h4-9,14-15,19,25H,10-13H2,1-3H3,(H2,26,27,28,30)
InChIKeyOVNZXRKXNRIVBK-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.85
Rot. Bonds7

About N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide

N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 155512315) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID155512315
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(NC4CCN(C)CC4)cc3)n[nH]2)cc1OC
InChIInChI=1S/C24H29N5O3/c1-29-12-10-19(11-13-29)25-18-7-4-16(5-8-18)24(30)26-23-15-20(27-28-23)17-6-9-21(31-2)22(14-17)32-3/h4-9,14-15,19,25H,10-13H2,1-3H3,(H2,26,27,28,30)
InChIKeyOVNZXRKXNRIVBK-UHFFFAOYSA-N
XLogP3.85
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (CID 155512315) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is COc1ccc(-c2cc(NC(=O)c3ccc(NC4CCN(C)CC4)cc3)n[nH]2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is OVNZXRKXNRIVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-29-12-10-19(11-13-29)25-18-7-4-16(5-8-18)24(30)26-23-15-20(27-28-23)17-6-9-21(31-2)22(14-17)32-3/h4-9,14-15,19,25H,10-13H2,1-3H3,(H2,26,27,28,30).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 435.53 g/mol, XLogP of 3.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 155512315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).