(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

C16H25N3O2 — CID 129378466

IUPAC(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1C
InChIInChI=1S/C16H25N3O2/c1-10-15(11(2)19(18-10)6-7-21-3)17-16(20)14-9-12-4-5-13(14)8-12/h12-14H,4-9H2,1-3H3,(H,17,20)/t12-,13-,14+/m0/s1
InChIKeyCORFCWNRGRFDPA-MELADBBJSA-N
MW291.39 g/mol
LogP2.52
Rot. Bonds5

About (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 129378466) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID129378466
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOCCn1nc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1C
InChIInChI=1S/C16H25N3O2/c1-10-15(11(2)19(18-10)6-7-21-3)17-16(20)14-9-12-4-5-13(14)8-12/h12-14H,4-9H2,1-3H3,(H,17,20)/t12-,13-,14+/m0/s1
InChIKeyCORFCWNRGRFDPA-MELADBBJSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,5S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 97101977
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 75441301
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-1-(1-methylazetidin-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 167941362
N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-N'-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]oxamide
CID 97001775
N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3111211
(1S,2S,4R)-N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98142401
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119809377
N-(2,3,4,5,6-pentafluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3670052
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 19335808
1-[(2R,6R)-2,6-dimethylcyclohexyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
CID 96569239
2-(2-chlorophenyl)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 71976166
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]acetamide
CID 11937405

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 129378466) is (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is COCCn1nc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1C.
What is the InChIKey of (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CORFCWNRGRFDPA-MELADBBJSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-15(11(2)19(18-10)6-7-21-3)17-16(20)14-9-12-4-5-13(14)8-12/h12-14H,4-9H2,1-3H3,(H,17,20)/t12-,13-,14+/m0/s1.
What are the key properties of (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 129378466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).