N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C13H20N4O — CID 113285930

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNc1cnn(CCNC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C13H20N4O/c14-11-7-16-17(8-11)4-3-15-13(18)12-6-9-1-2-10(12)5-9/h7-10,12H,1-6,14H2,(H,15,18)
InChIKeyMBWUVBULNWWZQE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 113285930) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID113285930
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNc1cnn(CCNC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C13H20N4O/c14-11-7-16-17(8-11)4-3-15-13(18)12-6-9-1-2-10(12)5-9/h7-10,12H,1-6,14H2,(H,15,18)
InChIKeyMBWUVBULNWWZQE-UHFFFAOYSA-N
XLogP1.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 115319625
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000294
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-cyclopentylurea
CID 113285954
(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100569266
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
(1S,2S,4S)-N-[3-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98221457
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 115319686
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 114032446
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 113285930) is N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is Nc1cnn(CCNC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MBWUVBULNWWZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-11-7-16-17(8-11)4-3-15-13(18)12-6-9-1-2-10(12)5-9/h7-10,12H,1-6,14H2,(H,15,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 113285930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).