1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide

C23H28N4O2 — CID 134708750

IUPAC1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C23H28N4O2/c1-4-27-22(12-20(26-27)15(2)3)23(28)25-21-14-29-13-17(21)11-16-9-10-24-19-8-6-5-7-18(16)19/h5-10,12,15,17,21H,4,11,13-14H2,1-3H3,(H,25,28)/t17-,21-/m1/s1
InChIKeyCGOMXPCUTVIRLU-DYESRHJHSA-N
MW392.50 g/mol
LogP3.56
Rot. Bonds6

About 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide

1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide (PubChem CID 134708750) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
PubChem CID134708750
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C23H28N4O2/c1-4-27-22(12-20(26-27)15(2)3)23(28)25-21-14-29-13-17(21)11-16-9-10-24-19-8-6-5-7-18(16)19/h5-10,12,15,17,21H,4,11,13-14H2,1-3H3,(H,25,28)/t17-,21-/m1/s1
InChIKeyCGOMXPCUTVIRLU-DYESRHJHSA-N
XLogP3.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide with MolForge

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Related Compounds

2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
CID 135098213
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 135107300
1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
CID 134707923
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696924
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 133110450

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide (CID 134708750) is 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide?
The InChIKey is CGOMXPCUTVIRLU-DYESRHJHSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-27-22(12-20(26-27)15(2)3)23(28)25-21-14-29-13-17(21)11-16-9-10-24-19-8-6-5-7-18(16)19/h5-10,12,15,17,21H,4,11,13-14H2,1-3H3,(H,25,28)/t17-,21-/m1/s1.
What are the key properties of 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide?
1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 134708750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).