N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide

C17H28N4O2 — CID 167931777

IUPACN-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)n1nccc1NC(=O)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)21-15(4-8-18-21)19-16(22)20-9-5-14(12-20)13-6-10-23-11-7-13/h4,8,13-14H,5-7,9-12H2,1-3H3,(H,19,22)
InChIKeyFLGACDOURNZMHU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.92
Rot. Bonds2

About N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide

N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide (PubChem CID 167931777) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
PubChem CID167931777
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)n1nccc1NC(=O)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)21-15(4-8-18-21)19-16(22)20-9-5-14(12-20)13-6-10-23-11-7-13/h4,8,13-14H,5-7,9-12H2,1-3H3,(H,19,22)
InChIKeyFLGACDOURNZMHU-UHFFFAOYSA-N
XLogP2.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-tert-butylpyrazol-3-yl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090412
1-(2-tert-butylpyrazol-3-yl)-3-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]urea
CID 138028312
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
1-(2-tert-butylpyrazol-3-yl)-3-[(1R,2R)-2-hydroxycyclohexyl]urea
CID 99830772
N-(2-propan-2-ylpyrazol-3-yl)morpholine-4-carboxamide
CID 47198657
N-(1-tert-butyl-1,2,4-triazol-3-yl)-6-cyclobutyl-1,4-oxazepane-4-carboxamide
CID 128621030
N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
CID 146084912
4-[[3-(oxan-4-yl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023608
(3R)-N-(3-fluoro-4-propan-2-ylphenyl)-3-[(3R)-oxolan-3-yl]pyrrolidine-1-carboxamide
CID 124744199
2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
CID 154742383
3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 127655986
3-amino-N-(2-benzylpyrazol-3-yl)pyrrolidine-1-carboxamide;hydrochloride
CID 154903028

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide (CID 167931777) is N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide is CC(C)(C)n1nccc1NC(=O)N1CCC(C2CCOCC2)C1.
What is the InChIKey of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is FLGACDOURNZMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)21-15(4-8-18-21)19-16(22)20-9-5-14(12-20)13-6-10-23-11-7-13/h4,8,13-14H,5-7,9-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide?
N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrazol-3-yl)-3-(oxan-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167931777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).