N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide

C17H26N4O — CID 75261208

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1NNC2CCCCCC21
InChIInChI=1S/C17H26N4O/c1-21(12-9-13-7-10-18-11-8-13)17(22)16-14-5-3-2-4-6-15(14)19-20-16/h7-8,10-11,14-16,19-20H,2-6,9,12H2,1H3
InChIKeyHFRGIUSIQRVMKN-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.51
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide (PubChem CID 75261208) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
PubChem CID75261208
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1NNC2CCCCCC21
InChIInChI=1S/C17H26N4O/c1-21(12-9-13-7-10-18-11-8-13)17(22)16-14-5-3-2-4-6-15(14)19-20-16/h7-8,10-11,14-16,19-20H,2-6,9,12H2,1H3
InChIKeyHFRGIUSIQRVMKN-UHFFFAOYSA-N
XLogP1.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide with MolForge

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Related Compounds

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5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
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N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
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CID 109132403
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CID 110690019
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CID 73250913
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide (CID 75261208) is N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide is CN(CCc1ccncc1)C(=O)C1NNC2CCCCCC21.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide?
The InChIKey is HFRGIUSIQRVMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-21(12-9-13-7-10-18-11-8-13)17(22)16-14-5-3-2-4-6-15(14)19-20-16/h7-8,10-11,14-16,19-20H,2-6,9,12H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 75261208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).