4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid

C11H17N3O3 — CID 177335577

IUPAC4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)n[nH]c1CN1CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-8-9(12-13-10(8)11(15)16)7-14-3-5-17-6-4-14/h2-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyDCDVBGLXIILJKI-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.50
Rot. Bonds4

About 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid

4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 177335577) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
PubChem CID177335577
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)n[nH]c1CN1CCOCC1
InChIInChI=1S/C11H17N3O3/c1-2-8-9(12-13-10(8)11(15)16)7-14-3-5-17-6-4-14/h2-7H2,1H3,(H,12,13)(H,15,16)
InChIKeyDCDVBGLXIILJKI-UHFFFAOYSA-N
XLogP0.50
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-3-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 121212806
5-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 138993303
5-ethyl-3-(morpholine-4-carbonyl)-1H-pyrazole-4-sulfonyl chloride
CID 65371213
5-(morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214542
4-ethyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 82227254
5-(morpholin-4-ylmethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 1249876
N-(3-amino-3-oxopropyl)-4-(2-fluorophenyl)-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 171539147
3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde
CID 24958742
3-[[16-[(2-carboxy-3-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 174155383
2-[13,16-bis(carboxymethyl)-7-ethyl-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetic acid
CID 156838378
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155497123

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid (CID 177335577) is 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid is CCc1c(C(=O)O)n[nH]c1CN1CCOCC1.
What is the InChIKey of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is DCDVBGLXIILJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-8-9(12-13-10(8)11(15)16)7-14-3-5-17-6-4-14/h2-7H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid?
4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(morpholin-4-ylmethyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 177335577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).