N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide

C15H25N3O2 — CID 97096634

IUPACN-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCCC1(CC)[C@@H](N(C)C(=O)c2ccnn2C)C[C@H]1OC
InChIInChI=1S/C15H25N3O2/c1-6-15(7-2)12(10-13(15)20-5)17(3)14(19)11-8-9-16-18(11)4/h8-9,12-13H,6-7,10H2,1-5H3/t12-,13+/m0/s1
InChIKeyWLTVGCIOEGTXAG-QWHCGFSZSA-N
MW279.38 g/mol
LogP2.09
Rot. Bonds5

About N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide

N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 97096634) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID97096634
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCCC1(CC)[C@@H](N(C)C(=O)c2ccnn2C)C[C@H]1OC
InChIInChI=1S/C15H25N3O2/c1-6-15(7-2)12(10-13(15)20-5)17(3)14(19)11-8-9-16-18(11)4/h8-9,12-13H,6-7,10H2,1-5H3/t12-,13+/m0/s1
InChIKeyWLTVGCIOEGTXAG-QWHCGFSZSA-N
XLogP2.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide (CID 97096634) is N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide is CCC1(CC)[C@@H](N(C)C(=O)c2ccnn2C)C[C@H]1OC.
What is the InChIKey of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is WLTVGCIOEGTXAG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-15(7-2)12(10-13(15)20-5)17(3)14(19)11-8-9-16-18(11)4/h8-9,12-13H,6-7,10H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-2,2-diethyl-3-methoxycyclobutyl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 97096634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).