N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride

C16H27ClN4O — CID 119459130

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCn1nc(C)c(C(=O)NC2CC3CCC(C2)N3)c1C.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-4-7-20-11(3)15(10(2)19-20)16(21)18-14-8-12-5-6-13(9-14)17-12;/h12-14,17H,4-9H2,1-3H3,(H,18,21);1H
InChIKeyKKOIAPDTWDULCO-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.34
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119459130) has the molecular formula C16H27ClN4O and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
PubChem CID119459130
Molecular FormulaC16H27ClN4O
Molecular Weight326.87 g/mol
Exact Mass326.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride
SMILESCCCn1nc(C)c(C(=O)NC2CC3CCC(C2)N3)c1C.Cl
InChIInChI=1S/C16H26N4O.ClH/c1-4-7-20-11(3)15(10(2)19-20)16(21)18-14-8-12-5-6-13(9-14)17-12;/h12-14,17H,4-9H2,1-3H3,(H,18,21);1H
InChIKeyKKOIAPDTWDULCO-UHFFFAOYSA-N
XLogP2.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
N-ethyl-1,3-dimethyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42669809
3,5-Diethyl-1-methyl-N-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 42669892
Pyrrolidin-1-yl-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 23094799
(5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 45502072
N-[2-(dimethylamino)ethyl]-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502077
N-cyclopropyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502086
N-ethyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502104
5-methyl-1-(1-methylpiperidin-3-yl)-N-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502105
N-isobutyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502106
N-butan-2-yl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502107
N-allyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502108

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride (CID 119459130) is N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride is CCCn1nc(C)c(C(=O)NC2CC3CCC(C2)N3)c1C.Cl.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is KKOIAPDTWDULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.ClH/c1-4-7-20-11(3)15(10(2)19-20)16(21)18-14-8-12-5-6-13(9-14)17-12;/h12-14,17H,4-9H2,1-3H3,(H,18,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119459130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).