N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C14H22N4O — CID 104592748

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCn1cc(CN)c(NC(=O)CC2CC3CCC2C3)n1
InChIInChI=1S/C14H22N4O/c1-18-8-12(7-15)14(17-18)16-13(19)6-11-5-9-2-3-10(11)4-9/h8-11H,2-7,15H2,1H3,(H,16,17,19)
InChIKeyRPNRCUGEMZYBTJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.64
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 104592748) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID104592748
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCn1cc(CN)c(NC(=O)CC2CC3CCC2C3)n1
InChIInChI=1S/C14H22N4O/c1-18-8-12(7-15)14(17-18)16-13(19)6-11-5-9-2-3-10(11)4-9/h8-11H,2-7,15H2,1H3,(H,16,17,19)
InChIKeyRPNRCUGEMZYBTJ-UHFFFAOYSA-N
XLogP1.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]propanamide
CID 104592680
1-(2-bicyclo[2.2.1]heptanyl)-3-(1-methyltriazol-4-yl)propan-2-one
CID 107062863
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 47067439
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292382
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 18107024
2-(2-bicyclo[2.2.1]heptanyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 112687351
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4,4-difluorocyclohexane-1-carboxamide
CID 104592707
N-(4-acetamidophenyl)-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11914325
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104592766
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 98729953
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-carbamothioyl-1-methylpyrazol-5-yl)acetamide
CID 79499674
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-methylphenyl)acetamide
CID 7733743

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 104592748) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is Cn1cc(CN)c(NC(=O)CC2CC3CCC2C3)n1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is RPNRCUGEMZYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18-8-12(7-15)14(17-18)16-13(19)6-11-5-9-2-3-10(11)4-9/h8-11H,2-7,15H2,1H3,(H,16,17,19).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 262.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 104592748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).