1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide

C14H22N4O2 — CID 110246499

IUPAC1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2ccnn2CC)C1
InChIInChI=1S/C14H22N4O2/c1-3-7-15-13(19)11-6-9-17(10-11)14(20)12-5-8-16-18(12)4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,15,19)
InChIKeyVCRYWCBKEVQPEK-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.89
Rot. Bonds5

About 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide

1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 110246499) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
PubChem CID110246499
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CCN(C(=O)c2ccnn2CC)C1
InChIInChI=1S/C14H22N4O2/c1-3-7-15-13(19)11-6-9-17(10-11)14(20)12-5-8-16-18(12)4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,15,19)
InChIKeyVCRYWCBKEVQPEK-UHFFFAOYSA-N
XLogP0.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(diethylamino)pyrrolidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 99961743
ethyl 1-(2-ethylpyrazole-3-carbonyl)piperidine-4-carboxylate
CID 35763507
(3R)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96572670
(2-ethylpyrazol-3-yl)-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methanone
CID 166616429
azepan-1-yl-(2-propylpyrazol-3-yl)methanone
CID 35522312
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
[4-[2-(cyclopropylmethoxy)ethyl]piperidin-1-yl]-(2-ethylpyrazol-3-yl)methanone
CID 71841527
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
(2-ethylpyrazol-3-yl)-[4-(2-pyridin-4-yloxyethyl)piperidin-1-yl]methanone
CID 53150962
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide (CID 110246499) is 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CCN(C(=O)c2ccnn2CC)C1.
What is the InChIKey of 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is VCRYWCBKEVQPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-7-15-13(19)11-6-9-17(10-11)14(20)12-5-8-16-18(12)4-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,15,19).
What are the key properties of 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide?
1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazole-3-carbonyl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110246499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).