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

C21H24N4O2 — CID 135113806

IUPAC1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1
InChIInChI=1S/C21H24N4O2/c1-14(2)25-10-8-19(24-25)21(26)23-20-13-27-12-16(20)11-15-7-9-22-18-6-4-3-5-17(15)18/h3-10,14,16,20H,11-13H2,1-2H3,(H,23,26)/t16-,20-/m1/s1
InChIKeyLTBOKYQXKAYCSH-OXQOHEQNSA-N
MW364.45 g/mol
LogP3.00
Rot. Bonds5

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

1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide (PubChem CID 135113806) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
PubChem CID135113806
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1
InChIInChI=1S/C21H24N4O2/c1-14(2)25-10-8-19(24-25)21(26)23-20-13-27-12-16(20)11-15-7-9-22-18-6-4-3-5-17(15)18/h3-10,14,16,20H,11-13H2,1-2H3,(H,23,26)/t16-,20-/m1/s1
InChIKeyLTBOKYQXKAYCSH-OXQOHEQNSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide (CID 135113806) is 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)n1.
What is the InChIKey of 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?
The InChIKey is LTBOKYQXKAYCSH-OXQOHEQNSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)25-10-8-19(24-25)21(26)23-20-13-27-12-16(20)11-15-7-9-22-18-6-4-3-5-17(15)18/h3-10,14,16,20H,11-13H2,1-2H3,(H,23,26)/t16-,20-/m1/s1.
What are the key properties of 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide?
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 135113806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).