N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

C17H27N3O3 — CID 91763710

IUPACN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C
InChIInChI=1S/C17H27N3O3/c1-4-20-12(3)16(11(2)19-20)17(21)18-14-10-22-8-7-15(14)23-9-13-5-6-13/h13-15H,4-10H2,1-3H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyUMBCIIQNMDXMSN-CABCVRRESA-N
MW321.42 g/mol
LogP1.83
Rot. Bonds6

About N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide

N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 91763710) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
PubChem CID91763710
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C
InChIInChI=1S/C17H27N3O3/c1-4-20-12(3)16(11(2)19-20)17(21)18-14-10-22-8-7-15(14)23-9-13-5-6-13/h13-15H,4-10H2,1-3H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyUMBCIIQNMDXMSN-CABCVRRESA-N
XLogP1.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (CID 91763710) is N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c1C.
What is the InChIKey of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is UMBCIIQNMDXMSN-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-20-12(3)16(11(2)19-20)17(21)18-14-10-22-8-7-15(14)23-9-13-5-6-13/h13-15H,4-10H2,1-3H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.83, 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-(cyclopropylmethoxy)oxan-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 91763710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).