1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid

C13H20N4O4 — CID 19624112

IUPAC1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
SMILESCC(CN1CCOCC1)NC(=O)c1cn(C)nc1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-9(7-17-3-5-21-6-4-17)14-12(18)10-8-16(2)15-11(10)13(19)20/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyLNPKMRMWPFWEFA-UHFFFAOYSA-N
MW296.33 g/mol
LogP-0.43
Rot. Bonds5

About 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid

1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid (PubChem CID 19624112) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
PubChem CID19624112
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
SMILESCC(CN1CCOCC1)NC(=O)c1cn(C)nc1C(=O)O
InChIInChI=1S/C13H20N4O4/c1-9(7-17-3-5-21-6-4-17)14-12(18)10-8-16(2)15-11(10)13(19)20/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyLNPKMRMWPFWEFA-UHFFFAOYSA-N
XLogP-0.43
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-3-(methoxymethyl)-1-methylpyrazole-4-carboxamide
CID 164640154
4-[2-(2-Fluoroethoxy)ethyl-methylcarbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 58446837
1-methyl-5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]pyrazole-4-carboxylic acid
CID 166278368
3-(N-cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
1-methyl-5-{[(3-methylbutyl)amino]carbonyl}-1H-pyrazole-4-carboxylic acid
CID 19623696
1-Methyl-3-(((3-(4-morpholinyl)propyl)amino)carbonyl)-1H-pyrazole-4-carboxylic acid
CID 19623995
1-Methyl-3-(3-morpholin-4-ium-4-ylpropylcarbamoyl)pyrazole-4-carboxylate
CID 42552616
1-methyl-3-[N-(methylethyl)carbamoyl]pyrazole-4-carboxylic acid
CID 15679497
1-Methyl-4-(piperidine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623810
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid
CID 19623812
1-Methyl-4-(4-methylpiperazine-1-carbonyl)pyrazole-5-carboxylic acid
CID 19623822
4-(4-Ethylpiperazine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623833

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid (CID 19624112) is 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid is CC(CN1CCOCC1)NC(=O)c1cn(C)nc1C(=O)O.
What is the InChIKey of 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid?
The InChIKey is LNPKMRMWPFWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-9(7-17-3-5-21-6-4-17)14-12(18)10-8-16(2)15-11(10)13(19)20/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid?
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).