1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide

C24H32N6O2 — CID 43020223

IUPAC1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C(=O)NCCCn3nc(C)cc3C)cc2)n1
InChIInChI=1S/C24H32N6O2/c1-17-15-19(3)29(27-17)13-5-11-25-23(31)21-7-9-22(10-8-21)24(32)26-12-6-14-30-20(4)16-18(2)28-30/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyIJYOLSPNTGAZRG-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.95
Rot. Bonds10

About 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide (PubChem CID 43020223) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
PubChem CID43020223
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ccc(C(=O)NCCCn3nc(C)cc3C)cc2)n1
InChIInChI=1S/C24H32N6O2/c1-17-15-19(3)29(27-17)13-5-11-25-23(31)21-7-9-22(10-8-21)24(32)26-12-6-14-30-20(4)16-18(2)28-30/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,25,31)(H,26,32)
InChIKeyIJYOLSPNTGAZRG-UHFFFAOYSA-N
XLogP2.95
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(methylsulfanylmethyl)benzamide
CID 30881756
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-hydroxybenzamide
CID 103830443
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridazine-4-carboxamide
CID 77095486
3-bromo-4-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 103841414
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
6-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 47080116
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19293688
4-[(2,6-dimethylphenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293754

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide (CID 43020223) is 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide is Cc1cc(C)n(CCCNC(=O)c2ccc(C(=O)NCCCn3nc(C)cc3C)cc2)n1.
What is the InChIKey of 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide?
The InChIKey is IJYOLSPNTGAZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-15-19(3)29(27-17)13-5-11-25-23(31)21-7-9-22(10-8-21)24(32)26-12-6-14-30-20(4)16-18(2)28-30/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,25,31)(H,26,32).
What are the key properties of 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 43020223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).