N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

C16H22N4O — CID 50959463

IUPACN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc2n(n1)CCNC2
InChIInChI=1S/C16H22N4O/c21-16(15-9-14-10-17-5-6-20(14)19-15)18-4-3-13-8-11-1-2-12(13)7-11/h1-2,9,11-13,17H,3-8,10H2,(H,18,21)/t11-,12+,13-/m1/s1
InChIKeyUGDXKCDBSNILEG-FRRDWIJNSA-N
MW286.38 g/mol
LogP1.32
Rot. Bonds4

About N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50959463) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50959463
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc2n(n1)CCNC2
InChIInChI=1S/C16H22N4O/c21-16(15-9-14-10-17-5-6-20(14)19-15)18-4-3-13-8-11-1-2-12(13)7-11/h1-2,9,11-13,17H,3-8,10H2,(H,18,21)/t11-,12+,13-/m1/s1
InChIKeyUGDXKCDBSNILEG-FRRDWIJNSA-N
XLogP1.32
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91833858
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95123695
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 70736280
N-[cyclohexyl(thiophen-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50971670
N,N-dimethyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide;sulfane
CID 171650641
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone
CID 50951867
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)quinoxaline-6-carboxamide;hydrochloride
CID 154896836
N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 56908090
2-(1,1,2,2-tetrafluoroethoxy)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)benzamide;hydrochloride
CID 154897110
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylbenzamide
CID 98819419
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide
CID 97120913
N-(2-piperazin-1-ylethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600247

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50959463) is N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cc2n(n1)CCNC2.
What is the InChIKey of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is UGDXKCDBSNILEG-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(15-9-14-10-17-5-6-20(14)19-15)18-4-3-13-8-11-1-2-12(13)7-11/h1-2,9,11-13,17H,3-8,10H2,(H,18,21)/t11-,12+,13-/m1/s1.
What are the key properties of N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50959463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).