N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide

C14H24N4OS — CID 71989929

IUPACN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
SMILESCCc1cc(CNC(=O)N2CCSC(C(C)C)C2)[nH]n1
InChIInChI=1S/C14H24N4OS/c1-4-11-7-12(17-16-11)8-15-14(19)18-5-6-20-13(9-18)10(2)3/h7,10,13H,4-6,8-9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyKZCFUFLHLFJZEP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide

N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide (PubChem CID 71989929) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
PubChem CID71989929
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
SMILESCCc1cc(CNC(=O)N2CCSC(C(C)C)C2)[nH]n1
InChIInChI=1S/C14H24N4OS/c1-4-11-7-12(17-16-11)8-15-14(19)18-5-6-20-13(9-18)10(2)3/h7,10,13H,4-6,8-9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyKZCFUFLHLFJZEP-UHFFFAOYSA-N
XLogP2.26
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
The IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide (CID 71989929) is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
The canonical SMILES for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide is CCc1cc(CNC(=O)N2CCSC(C(C)C)C2)[nH]n1.
What is the InChIKey of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
The InChIKey is KZCFUFLHLFJZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-11-7-12(17-16-11)8-15-14(19)18-5-6-20-13(9-18)10(2)3/h7,10,13H,4-6,8-9H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71989929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).