N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide

C13H21N3O2 — CID 110875726

IUPACN,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1ccnn1C
InChIInChI=1S/C13H21N3O2/c1-13(5-8-18-9-6-13)10-15(2)12(17)11-4-7-14-16(11)3/h4,7H,5-6,8-10H2,1-3H3
InChIKeySUBRWVPMABYAPT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.31
Rot. Bonds3

About N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide

N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 110875726) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID110875726
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
SMILESCN(CC1(C)CCOCC1)C(=O)c1ccnn1C
InChIInChI=1S/C13H21N3O2/c1-13(5-8-18-9-6-13)10-15(2)12(17)11-4-7-14-16(11)3/h4,7H,5-6,8-10H2,1-3H3
InChIKeySUBRWVPMABYAPT-UHFFFAOYSA-N
XLogP1.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide (CID 110875726) is N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide is CN(CC1(C)CCOCC1)C(=O)c1ccnn1C.
What is the InChIKey of N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is SUBRWVPMABYAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(5-8-18-9-6-13)10-15(2)12(17)11-4-7-14-16(11)3/h4,7H,5-6,8-10H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110875726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).