N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide

C15H26N4O2 — CID 99852434

IUPACN-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CNC[C@@H]1OC
InChIInChI=1S/C15H26N4O2/c1-5-11(6-2)19-13(7-10(3)18-19)15(20)17-12-8-16-9-14(12)21-4/h7,11-12,14,16H,5-6,8-9H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyCZXYRTUZISPNER-OCCSQVGLSA-N
MW294.40 g/mol
LogP1.27
Rot. Bonds6

About N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide

N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide (PubChem CID 99852434) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
PubChem CID99852434
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
SMILESCCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CNC[C@@H]1OC
InChIInChI=1S/C15H26N4O2/c1-5-11(6-2)19-13(7-10(3)18-19)15(20)17-12-8-16-9-14(12)21-4/h7,11-12,14,16H,5-6,8-9H2,1-4H3,(H,17,20)/t12-,14+/m1/s1
InChIKeyCZXYRTUZISPNER-OCCSQVGLSA-N
XLogP1.27
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

5-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-pentan-3-ylpyrazole-3-carboxamide
CID 120642005
N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 93205481
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 43639819
N-[1-(hydroxymethyl)cyclopentyl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide
CID 110008789
5-methyl-N-[5-(oxan-4-yl)-1H-pyrazol-3-yl]-2-pentan-3-ylpyrazole-3-carboxamide
CID 75444541
N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
1-ethyl-3-[(3R,4R)-4-methoxypyrrolidin-3-yl]urea
CID 52908262
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 43594183
1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
CID 99852379
N-(4-methoxypyrrolidin-3-yl)-2-methylsulfanylbutanamide
CID 136575935
N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 43594149

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide (CID 99852434) is N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide is CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CNC[C@@H]1OC.
What is the InChIKey of N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
The InChIKey is CZXYRTUZISPNER-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-11(6-2)19-13(7-10(3)18-19)15(20)17-12-8-16-9-14(12)21-4/h7,11-12,14,16H,5-6,8-9H2,1-4H3,(H,17,20)/t12-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide?
N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methyl-2-pentan-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 99852434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).