N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

C15H25N3O3 — CID 133110450

IUPACN-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCO[C@@H]1COC[C@H]1NC(=O)c1cc(C(C)C)nn1CC
InChIInChI=1S/C15H25N3O3/c1-5-18-13(7-11(17-18)10(3)4)15(19)16-12-8-20-9-14(12)21-6-2/h7,10,12,14H,5-6,8-9H2,1-4H3,(H,16,19)/t12-,14-/m1/s1
InChIKeyHWUDGZXEFBFUQE-TZMCWYRMSA-N
MW295.38 g/mol
LogP1.56
Rot. Bonds6

About N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 133110450) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID133110450
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCO[C@@H]1COC[C@H]1NC(=O)c1cc(C(C)C)nn1CC
InChIInChI=1S/C15H25N3O3/c1-5-18-13(7-11(17-18)10(3)4)15(19)16-12-8-20-9-14(12)21-6-2/h7,10,12,14H,5-6,8-9H2,1-4H3,(H,16,19)/t12-,14-/m1/s1
InChIKeyHWUDGZXEFBFUQE-TZMCWYRMSA-N
XLogP1.56
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
CID 134708750
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 122561387
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
N-[(3S,4R)-3-methoxyoxan-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 91792914
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
N-[(3S,4R)-4-cyclopropyl-1-(2-hydroxyethyl)pyrrolidin-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133130538
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 56740631
1-ethyl-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70730522
4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
CID 122559839
ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
CID 112727118
3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 133134619
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 64928116

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 133110450) is N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCO[C@@H]1COC[C@H]1NC(=O)c1cc(C(C)C)nn1CC.
What is the InChIKey of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is HWUDGZXEFBFUQE-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-18-13(7-11(17-18)10(3)4)15(19)16-12-8-20-9-14(12)21-6-2/h7,10,12,14H,5-6,8-9H2,1-4H3,(H,16,19)/t12-,14-/m1/s1.
What are the key properties of N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 133110450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).