(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide

C16H25N3O — CID 98329792

IUPAC(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H25N3O/c1-10-6-7-17-19(10)12(3)16(20)18-11(2)15-9-13-4-5-14(15)8-13/h6-7,11-15H,4-5,8-9H2,1-3H3,(H,18,20)/t11-,12+,13-,14-,15-/m0/s1
InChIKeyRJOMWRDWZDKKQP-AICCOOGYSA-N
MW275.40 g/mol
LogP2.69
Rot. Bonds4

About (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide

(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide (PubChem CID 98329792) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide
PubChem CID98329792
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H25N3O/c1-10-6-7-17-19(10)12(3)16(20)18-11(2)15-9-13-4-5-14(15)8-13/h6-7,11-15H,4-5,8-9H2,1-3H3,(H,18,20)/t11-,12+,13-,14-,15-/m0/s1
InChIKeyRJOMWRDWZDKKQP-AICCOOGYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 124828573
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-ethylpyrazole-3-carboxamide
CID 98472822
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
(2R)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 98331541
(2S)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 124823605
(2R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylphenoxy)propanamide
CID 124713228
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98670180
(2R)-2-(4-acetamidoanilino)-N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]propanamide
CID 98613619
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)-3-methylbutanamide
CID 98606828
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]propanamide
CID 46801157

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide (CID 98329792) is (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is RJOMWRDWZDKKQP-AICCOOGYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-10-6-7-17-19(10)12(3)16(20)18-11(2)15-9-13-4-5-14(15)8-13/h6-7,11-15H,4-5,8-9H2,1-3H3,(H,18,20)/t11-,12+,13-,14-,15-/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide?
(2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 98329792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).