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

C23H25N5O3 — CID 138454787

IUPACN-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCO5)[nH]n3)cc2)CC1
InChIInChI=1S/C23H25N5O3/c1-28-10-8-18(9-11-28)24-17-5-2-15(3-6-17)23(29)25-22-13-19(26-27-22)16-4-7-20-21(12-16)31-14-30-20/h2-7,12-13,18,24H,8-11,14H2,1H3,(H2,25,26,27,29)
InChIKeyOKFAZZUSWJWRJN-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.56
Rot. Bonds5

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

N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 138454787) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID138454787
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCO5)[nH]n3)cc2)CC1
InChIInChI=1S/C23H25N5O3/c1-28-10-8-18(9-11-28)24-17-5-2-15(3-6-17)23(29)25-22-13-19(26-27-22)16-4-7-20-21(12-16)31-14-30-20/h2-7,12-13,18,24H,8-11,14H2,1H3,(H2,25,26,27,29)
InChIKeyOKFAZZUSWJWRJN-UHFFFAOYSA-N
XLogP3.56
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide with MolForge

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Related Compounds

Azd-4547
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3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 10
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N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
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N-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155514762
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
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N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide (CID 138454787) is N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is CN1CCC(Nc2ccc(C(=O)Nc3cc(-c4ccc5c(c4)OCO5)[nH]n3)cc2)CC1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is OKFAZZUSWJWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-28-10-8-18(9-11-28)24-17-5-2-15(3-6-17)23(29)25-22-13-19(26-27-22)16-4-7-20-21(12-16)31-14-30-20/h2-7,12-13,18,24H,8-11,14H2,1H3,(H2,25,26,27,29).
What are the key properties of N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide?
N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 419.49 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 138454787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).