3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride

C14H27Cl2N5O — CID 119870150

IUPAC3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)CCn1ccc(NC(=O)C2CCCC(N)C2)n1.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-18(2)8-9-19-7-6-13(17-19)16-14(20)11-4-3-5-12(15)10-11;;/h6-7,11-12H,3-5,8-10,15H2,1-2H3,(H,16,17,20);2*1H
InChIKeyWPZBWARMCATAMZ-UHFFFAOYSA-N
MW352.31 g/mol
LogP1.74
Rot. Bonds5

About 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119870150) has the molecular formula C14H27Cl2N5O and a molecular weight of 352.31 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119870150
Molecular FormulaC14H27Cl2N5O
Molecular Weight352.31 g/mol
Exact Mass351.16
IUPAC Name3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C)CCn1ccc(NC(=O)C2CCCC(N)C2)n1.Cl.Cl
InChIInChI=1S/C14H25N5O.2ClH/c1-18(2)8-9-19-7-6-13(17-19)16-14(20)11-4-3-5-12(15)10-11;;/h6-7,11-12H,3-5,8-10,15H2,1-2H3,(H,16,17,20);2*1H
InChIKeyWPZBWARMCATAMZ-UHFFFAOYSA-N
XLogP1.74
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
(4aS,7aR)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96997890
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-phenylpyrrolidine-2-carboxamide
CID 139006084
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
CID 119870128
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide;dihydrochloride
CID 119946926
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
trans-(1S,3S)-3-[(1-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 129379175
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119870150) is 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride is CN(C)CCn1ccc(NC(=O)C2CCCC(N)C2)n1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is WPZBWARMCATAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.2ClH/c1-18(2)8-9-19-7-6-13(17-19)16-14(20)11-4-3-5-12(15)10-11;;/h6-7,11-12H,3-5,8-10,15H2,1-2H3,(H,16,17,20);2*1H.
What are the key properties of 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 352.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119870150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).