3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H21N3O3 — CID 19620316

IUPAC3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCn1nccc1CNC(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-2-18-11(5-6-17-18)8-16-14(19)12-9-3-4-10(7-9)13(12)15(20)21/h5-6,9-10,12-13H,2-4,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyMUDHSZFRDXPSCA-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.27
Rot. Bonds5

About 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 19620316) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID19620316
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCn1nccc1CNC(=O)C1C2CCC(C2)C1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-2-18-11(5-6-17-18)8-16-14(19)12-9-3-4-10(7-9)13(12)15(20)21/h5-6,9-10,12-13H,2-4,7-8H2,1H3,(H,16,19)(H,20,21)
InChIKeyMUDHSZFRDXPSCA-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2S,3S,4S)-3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51851282
trans-(1R,2R)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521016
trans-(1S,2S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521014
(1S,2R,3S,4S)-3-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124717713
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 19620296
(1S,2S,3S,4S)-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557910
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]piperidine-1-carboxamide
CID 138010574
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
3-[(4-fluorophenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6470275
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761680
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
methyl 2-[(2-ethylpyrazol-3-yl)methylamino]-2-methylpropanoate
CID 115924194

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 19620316) is 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is CCn1nccc1CNC(=O)C1C2CCC(C2)C1C(=O)O.
What is the InChIKey of 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is MUDHSZFRDXPSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-18-11(5-6-17-18)8-16-14(19)12-9-3-4-10(7-9)13(12)15(20)21/h5-6,9-10,12-13H,2-4,7-8H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 19620316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).