3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide

C14H24N6O2 — CID 138994694

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCc2cnn(C)c2C)C1
InChIInChI=1S/C14H24N6O2/c1-4-15-14(22)20-6-5-12(9-20)18-13(21)16-7-11-8-17-19(3)10(11)2/h8,12H,4-7,9H2,1-3H3,(H,15,22)(H2,16,18,21)
InChIKeyLWVPYTCPMATBSW-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.33
Rot. Bonds4

About 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide

3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide (PubChem CID 138994694) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
PubChem CID138994694
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)NCc2cnn(C)c2C)C1
InChIInChI=1S/C14H24N6O2/c1-4-15-14(22)20-6-5-12(9-20)18-13(21)16-7-11-8-17-19(3)10(11)2/h8,12H,4-7,9H2,1-3H3,(H,15,22)(H2,16,18,21)
InChIKeyLWVPYTCPMATBSW-UHFFFAOYSA-N
XLogP0.33
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106037474
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 119063153
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea
CID 75499262
1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123293
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 119067199
(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
3-[(2-aminoacetyl)amino]-N-ethylpyrrolidine-1-carboxamide
CID 119344677
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 146084594
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
1-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 119065208
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide (CID 138994694) is 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)NCc2cnn(C)c2C)C1.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is LWVPYTCPMATBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-4-15-14(22)20-6-5-12(9-20)18-13(21)16-7-11-8-17-19(3)10(11)2/h8,12H,4-7,9H2,1-3H3,(H,15,22)(H2,16,18,21).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide?
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138994694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).