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

C20H22N4O2 — CID 134707923

IUPAC1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C20H22N4O2/c1-2-24-11-16(10-22-24)20(25)23-19-13-26-12-15(19)9-14-7-8-21-18-6-4-3-5-17(14)18/h3-8,10-11,15,19H,2,9,12-13H2,1H3,(H,23,25)/t15-,19+/m1/s1
InChIKeyZVAWOKUIZGWSRF-BEFAXECRSA-N
MW350.42 g/mol
LogP2.44
Rot. Bonds5

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

1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide (PubChem CID 134707923) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
PubChem CID134707923
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1
InChIInChI=1S/C20H22N4O2/c1-2-24-11-16(10-22-24)20(25)23-19-13-26-12-15(19)9-14-7-8-21-18-6-4-3-5-17(14)18/h3-8,10-11,15,19H,2,9,12-13H2,1H3,(H,23,25)/t15-,19+/m1/s1
InChIKeyZVAWOKUIZGWSRF-BEFAXECRSA-N
XLogP2.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide (CID 134707923) is 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)cn1.
What is the InChIKey of 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide?
The InChIKey is ZVAWOKUIZGWSRF-BEFAXECRSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-24-11-16(10-22-24)20(25)23-19-13-26-12-15(19)9-14-7-8-21-18-6-4-3-5-17(14)18/h3-8,10-11,15,19H,2,9,12-13H2,1H3,(H,23,25)/t15-,19+/m1/s1.
What are the key properties of 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 134707923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).