(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

C13H19N3O — CID 100569266

IUPAC(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1
InChIInChI=1S/C13H19N3O/c1-2-16-8-11(7-14-16)15-13(17)12-6-9-3-4-10(12)5-9/h7-10,12H,2-6H2,1H3,(H,15,17)/t9-,10-,12-/m0/s1
InChIKeyWBLSXXLODZECDP-NHCYSSNCSA-N
MW233.31 g/mol
LogP2.28
Rot. Bonds3

About (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 100569266) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID100569266
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCn1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1
InChIInChI=1S/C13H19N3O/c1-2-16-8-11(7-14-16)15-13(17)12-6-9-3-4-10(12)5-9/h7-10,12H,2-6H2,1H3,(H,15,17)/t9-,10-,12-/m0/s1
InChIKeyWBLSXXLODZECDP-NHCYSSNCSA-N
XLogP2.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7102723
5-[(1-ethylpyrazol-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102687667
trans-(1R,2R)-2-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 51392378
(2S)-N-(1-ethylpyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119292192
(1R,2S,4S)-N-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11905183
N-(1-ethylpyrazol-4-yl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 47813826
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 114965405
N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 113285930
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 100569266) is (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is CCn1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cn1.
What is the InChIKey of (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WBLSXXLODZECDP-NHCYSSNCSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-16-8-11(7-14-16)15-13(17)12-6-9-3-4-10(12)5-9/h7-10,12H,2-6H2,1H3,(H,15,17)/t9-,10-,12-/m0/s1.
What are the key properties of (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 100569266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).