N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide

C12H19N3O3 — CID 126808047

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)[C@@H]1COC[C@H]1O
InChIInChI=1S/C12H19N3O3/c1-7-11(8(2)15(4)13-7)12(17)14(3)9-5-18-6-10(9)16/h9-10,16H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyOUXQRZWOTZJXTM-NXEZZACHSA-N
MW253.30 g/mol
LogP-0.13
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 126808047) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID126808047
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)[C@@H]1COC[C@H]1O
InChIInChI=1S/C12H19N3O3/c1-7-11(8(2)15(4)13-7)12(17)14(3)9-5-18-6-10(9)16/h9-10,16H,5-6H2,1-4H3/t9-,10-/m1/s1
InChIKeyOUXQRZWOTZJXTM-NXEZZACHSA-N
XLogP-0.13
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 102634585
4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 114218928
N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
4-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoic acid
CID 43151815
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 154757694
N-(5-aminopentyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 107206591
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-carboxamide
CID 54996660
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 91771959
1-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120977124
2-[cyclopentyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]acetic acid
CID 60825576
N,1,3,5-tetramethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazole-4-carboxamide
CID 77089309

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 126808047) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)[C@@H]1COC[C@H]1O.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is OUXQRZWOTZJXTM-NXEZZACHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-11(8(2)15(4)13-7)12(17)14(3)9-5-18-6-10(9)16/h9-10,16H,5-6H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 126808047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).