5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

C16H20N4O3 — CID 138028340

IUPAC5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCCC(c1ccncc1)N(CC)C(=O)c1cc(C(=O)O)nn1C
InChIInChI=1S/C16H20N4O3/c1-4-13(11-6-8-17-9-7-11)20(5-2)15(21)14-10-12(16(22)23)18-19(14)3/h6-10,13H,4-5H2,1-3H3,(H,22,23)
InChIKeyNSUHIHKSLYZDPS-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.13
Rot. Bonds6

About 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid

5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 138028340) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID138028340
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCCC(c1ccncc1)N(CC)C(=O)c1cc(C(=O)O)nn1C
InChIInChI=1S/C16H20N4O3/c1-4-13(11-6-8-17-9-7-11)20(5-2)15(21)14-10-12(16(22)23)18-19(14)3/h6-10,13H,4-5H2,1-3H3,(H,22,23)
InChIKeyNSUHIHKSLYZDPS-UHFFFAOYSA-N
XLogP2.13
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-1-methyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-2-carboxamide
CID 125130540
5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]thiophene-3-carboxylic acid
CID 166275379
1-ethyl-3-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(1R)-1-pyridin-4-ylpropyl]urea
CID 97224625
1-ethyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-(1-pyridin-4-ylpropyl)urea
CID 75372959
N-methyl-N-(1-pyridin-4-ylpropyl)acetamide
CID 170313482
1-methyl-3-propan-2-ylsulfonylcarbonylpyrazole-5-carboxylic acid
CID 117215351
methyl N-ethyl-N-[(1R)-1-phenylpropyl]carbamate
CID 143937695
5-(2,2-difluoropentan-3-ylcarbamoyl)-1-methylpyrazole-3-carboxylic acid
CID 166303173
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
N-ethyl-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-pyridin-4-ylpropyl]acetamide
CID 95633137
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
5-(2,2-difluoroethoxy)-1-methylpyrazole-3-carboxylic acid
CID 130229500

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 138028340) is 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is CCC(c1ccncc1)N(CC)C(=O)c1cc(C(=O)O)nn1C.
What is the InChIKey of 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is NSUHIHKSLYZDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-13(11-6-8-17-9-7-11)20(5-2)15(21)14-10-12(16(22)23)18-19(14)3/h6-10,13H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid?
5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(1-pyridin-4-ylpropyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 138028340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).