N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide

C20H29N3O3 — CID 134014296

IUPACN-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccnn2CC(C)C)cc1OCCC
InChIInChI=1S/C20H29N3O3/c1-5-11-25-17-8-7-16(13-18(17)26-12-6-2)20(24)22-19-9-10-21-23(19)14-15(3)4/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,22,24)
InChIKeyWZLZYIWFNJOEKF-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.37
Rot. Bonds10

About N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide

N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide (PubChem CID 134014296) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
PubChem CID134014296
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccnn2CC(C)C)cc1OCCC
InChIInChI=1S/C20H29N3O3/c1-5-11-25-17-8-7-16(13-18(17)26-12-6-2)20(24)22-19-9-10-21-23(19)14-15(3)4/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,22,24)
InChIKeyWZLZYIWFNJOEKF-UHFFFAOYSA-N
XLogP4.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]-4-propoxybenzamide
CID 134014331
3-methoxy-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35439410
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-(trifluoromethoxy)benzamide
CID 134014290
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
N-(2-butan-2-ylpyrazol-3-yl)-3-ethoxy-4-methoxybenzamide
CID 78778552
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099
3-ethoxy-N',N'-dimethyl-4-propoxybenzohydrazide
CID 9164038
3-[(3,4-dipropoxybenzoyl)amino]butanoic acid
CID 119220905
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide?
The IUPAC name of N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide (CID 134014296) is N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide.
What is the SMILES notation for N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide?
The canonical SMILES for N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2ccnn2CC(C)C)cc1OCCC.
What is the InChIKey of N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide?
The InChIKey is WZLZYIWFNJOEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-11-25-17-8-7-16(13-18(17)26-12-6-2)20(24)22-19-9-10-21-23(19)14-15(3)4/h7-10,13,15H,5-6,11-12,14H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide?
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide has a molecular weight of 359.47 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide is sourced from PubChem (CID 134014296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).