N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide

C24H36N4O2 — CID 110130054

IUPACN-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccn(CC)n3)cc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C24H36N4O2/c1-6-27(7-2)20-15-22(17(4)5)30-23(16-20)18-9-11-19(12-10-18)25-24(29)21-13-14-28(8-3)26-21/h9-14,17,20,22-23H,6-8,15-16H2,1-5H3,(H,25,29)/t20-,22-,23+/m1/s1
InChIKeyOELYRYKVDARXPH-MZYLBHOOSA-N
MW412.58 g/mol
LogP4.74
Rot. Bonds8

About N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide

N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 110130054) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide
PubChem CID110130054
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide
SMILESCCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccn(CC)n3)cc2)O[C@@H](C(C)C)C1
InChIInChI=1S/C24H36N4O2/c1-6-27(7-2)20-15-22(17(4)5)30-23(16-20)18-9-11-19(12-10-18)25-24(29)21-13-14-28(8-3)26-21/h9-14,17,20,22-23H,6-8,15-16H2,1-5H3,(H,25,29)/t20-,22-,23+/m1/s1
InChIKeyOELYRYKVDARXPH-MZYLBHOOSA-N
XLogP4.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide (CID 110130054) is N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide is CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccn(CC)n3)cc2)O[C@@H](C(C)C)C1.
What is the InChIKey of N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is OELYRYKVDARXPH-MZYLBHOOSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-6-27(7-2)20-15-22(17(4)5)30-23(16-20)18-9-11-19(12-10-18)25-24(29)21-13-14-28(8-3)26-21/h9-14,17,20,22-23H,6-8,15-16H2,1-5H3,(H,25,29)/t20-,22-,23+/m1/s1.
What are the key properties of N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide?
N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 412.58 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,4R,6R)-4-(diethylamino)-6-propan-2-yloxan-2-yl]phenyl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 110130054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).