N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

C17H24N6O2 — CID 56888546

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C17H24N6O2/c24-17(16-11-23(22-21-16)10-12-5-4-8-25-12)18-9-15-13-6-2-1-3-7-14(13)19-20-15/h11-12H,1-10H2,(H,18,24)(H,19,20)
InChIKeyWMEBEAAUGQRRBX-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.38
Rot. Bonds5

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 56888546) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID56888546
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCc1n[nH]c2c1CCCCC2)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C17H24N6O2/c24-17(16-11-23(22-21-16)10-12-5-4-8-25-12)18-9-15-13-6-2-1-3-7-14(13)19-20-15/h11-12H,1-10H2,(H,18,24)(H,19,20)
InChIKeyWMEBEAAUGQRRBX-UHFFFAOYSA-N
XLogP1.38
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45212693
1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide
CID 42197338
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 95711095
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56887016
1-[2-(diethylamino)-2-oxoethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 25274681
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
CID 42519933
N-methyl-1-[[(2R)-oxolan-2-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)triazole-4-carboxamide
CID 42519934
N-methyl-1-(tetrahydro-2-furanylmethyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45232109
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1-(piperidin-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 50975372
1-[2-(diethylamino)-2-oxoethyl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 56902483
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218053
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218054

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 56888546) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is O=C(NCc1n[nH]c2c1CCCCC2)c1cn(CC2CCCO2)nn1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is WMEBEAAUGQRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c24-17(16-11-23(22-21-16)10-12-5-4-8-25-12)18-9-15-13-6-2-1-3-7-14(13)19-20-15/h11-12H,1-10H2,(H,18,24)(H,19,20).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56888546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).