4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide

C18H24N4O3 — CID 68522911

IUPAC4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCOc1ccccc1C(=O)NCc1c(C(N)=O)n[nH]c1CCC
InChIInChI=1S/C18H24N4O3/c1-3-7-14-13(16(17(19)23)22-21-14)11-20-18(24)12-8-5-6-9-15(12)25-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyJEGFNWMVVHKEQH-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.18
Rot. Bonds9

About 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 68522911) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID68522911
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCOc1ccccc1C(=O)NCc1c(C(N)=O)n[nH]c1CCC
InChIInChI=1S/C18H24N4O3/c1-3-7-14-13(16(17(19)23)22-21-14)11-20-18(24)12-8-5-6-9-15(12)25-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22)
InChIKeyJEGFNWMVVHKEQH-UHFFFAOYSA-N
XLogP2.18
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxybenzoyl)amino]-5-propyl-1H-pyrazole-3-carboxamide
CID 22726996
2-propoxy-N-propylbenzamide
CID 58831728
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
5-[3-[(2-ethoxybenzoyl)amino]propyl]-1H-imidazole-4-carboxamide
CID 70092465
N-(2,2-dimethoxyethyl)-2-propoxybenzamide
CID 71581289
N-butan-2-yl-2-propoxybenzamide
CID 71581291
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
CID 17233378
2-(2-amino-2-oxoethoxy)-N-butylbenzamide
CID 36711020
2-pentoxybenzohydrazide
CID 54793215
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
CID 17168903

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 68522911) is 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCOc1ccccc1C(=O)NCc1c(C(N)=O)n[nH]c1CCC.
What is the InChIKey of 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is JEGFNWMVVHKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-7-14-13(16(17(19)23)22-21-14)11-20-18(24)12-8-5-6-9-15(12)25-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,19,23)(H,20,24)(H,21,22).
What are the key properties of 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-propoxybenzoyl)amino]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 68522911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).