N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C14H21N3O — CID 112690355

IUPACN-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCc1cc(NC(=O)C2CC3CCC2C3)n[nH]1
InChIInChI=1S/C14H21N3O/c1-2-3-11-8-13(17-16-11)15-14(18)12-7-9-4-5-10(12)6-9/h8-10,12H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyPMRJEGOJFLBWCW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.74
Rot. Bonds4

About N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 112690355) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID112690355
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCc1cc(NC(=O)C2CC3CCC2C3)n[nH]1
InChIInChI=1S/C14H21N3O/c1-2-3-11-8-13(17-16-11)15-14(18)12-7-9-4-5-10(12)6-9/h8-10,12H,2-7H2,1H3,(H2,15,16,17,18)
InChIKeyPMRJEGOJFLBWCW-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47289727
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619904
N-(5-propyl-1H-pyrazol-3-yl)cyclopropanecarboxamide
CID 115619791
N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115976378
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 107068555
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 102780018
N-(5-propyl-1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 43045933
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
2-(cyclopentylamino)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 113433550

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 112690355) is N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is CCCc1cc(NC(=O)C2CC3CCC2C3)n[nH]1.
What is the InChIKey of N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PMRJEGOJFLBWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-11-8-13(17-16-11)15-14(18)12-7-9-4-5-10(12)6-9/h8-10,12H,2-7H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 112690355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).