3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide

C13H17N5O3 — CID 97428103

IUPAC3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C13H17N5O3/c1-17-7-11(13(16-17)20-2)12(19)15-9-5-14-18(6-9)10-3-4-21-8-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,19)/t10-/m1/s1
InChIKeyHYTMGEGIJPHHAC-SNVBAGLBSA-N
MW291.31 g/mol
LogP0.84
Rot. Bonds4

About 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 97428103) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID97428103
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cnn([C@@H]2CCOC2)c1
InChIInChI=1S/C13H17N5O3/c1-17-7-11(13(16-17)20-2)12(19)15-9-5-14-18(6-9)10-3-4-21-8-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,19)/t10-/m1/s1
InChIKeyHYTMGEGIJPHHAC-SNVBAGLBSA-N
XLogP0.84
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 97428006
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
methyl 4-[[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]carbamoyl]benzoate
CID 97427996
2-ethylsulfanyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzamide
CID 97428080
5-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 71810129
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
4-methyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]piperazine-1-carboxamide
CID 72719656
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide (CID 97428103) is 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cnn([C@@H]2CCOC2)c1.
What is the InChIKey of 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is HYTMGEGIJPHHAC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-17-7-11(13(16-17)20-2)12(19)15-9-5-14-18(6-9)10-3-4-21-8-10/h5-7,10H,3-4,8H2,1-2H3,(H,15,19)/t10-/m1/s1.
What are the key properties of 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 97428103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).