N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide

C13H21N3O2 — CID 63707078

IUPACN,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-9-12(10(2)15-14-9)13(17)16(3)8-11-4-6-18-7-5-11/h11H,4-8H2,1-3H3,(H,14,15)
InChIKeyTYAMOESCMOIIKF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.53
Rot. Bonds3

About N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide

N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 63707078) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID63707078
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(C)CC1CCOCC1
InChIInChI=1S/C13H21N3O2/c1-9-12(10(2)15-14-9)13(17)16(3)8-11-4-6-18-7-5-11/h11H,4-8H2,1-3H3,(H,14,15)
InChIKeyTYAMOESCMOIIKF-UHFFFAOYSA-N
XLogP1.53
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3,5-dimethyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 79721385
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701
4-bromo-N-(cyclopropylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 47374540
6-fluoro-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 113323608
2-[cyclopropyl-(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 54945892
4-amino-N,5-dimethyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727250
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 79651912
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63706966

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide (CID 63707078) is N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(C)CC1CCOCC1.
What is the InChIKey of N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is TYAMOESCMOIIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-12(10(2)15-14-9)13(17)16(3)8-11-4-6-18-7-5-11/h11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide?
N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(oxan-4-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63707078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).