2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide

C13H22N4O — CID 83071376

IUPAC2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cnn(C(C)C)c2)CCCN1
InChIInChI=1S/C13H22N4O/c1-4-13(6-5-7-14-13)12(18)16-11-8-15-17(9-11)10(2)3/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyQJWYDLVRLDSDIA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.93
Rot. Bonds4

About 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide

2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 83071376) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID83071376
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cnn(C(C)C)c2)CCCN1
InChIInChI=1S/C13H22N4O/c1-4-13(6-5-7-14-13)12(18)16-11-8-15-17(9-11)10(2)3/h8-10,14H,4-7H2,1-3H3,(H,16,18)
InChIKeyQJWYDLVRLDSDIA-UHFFFAOYSA-N
XLogP1.93
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 75511870
2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)pyrrolidine-2-carboxamide
CID 83071655
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83079547
2-[1-(aminomethyl)cyclobutyl]-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 81168482
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
(2S)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 62902493
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide (CID 83071376) is 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cnn(C(C)C)c2)CCCN1.
What is the InChIKey of 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is QJWYDLVRLDSDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-13(6-5-7-14-13)12(18)16-11-8-15-17(9-11)10(2)3/h8-10,14H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide?
2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 83071376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).