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

C14H29Cl2N5O — CID 119870128

IUPAC7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
SMILESCN(C)CCn1ccc(NC(=O)CCCCCCN)n1.Cl.Cl
InChIInChI=1S/C14H27N5O.2ClH/c1-18(2)11-12-19-10-8-13(17-19)16-14(20)7-5-3-4-6-9-15;;/h8,10H,3-7,9,11-12,15H2,1-2H3,(H,16,17,20);2*1H
InChIKeySOGACJANCPQZKA-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.14
Rot. Bonds10

About 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride

7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride (PubChem CID 119870128) has the molecular formula C14H29Cl2N5O and a molecular weight of 354.33 g/mol. Its IUPAC name is 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
PubChem CID119870128
Molecular FormulaC14H29Cl2N5O
Molecular Weight354.33 g/mol
Exact Mass353.17
IUPAC Name7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride
SMILESCN(C)CCn1ccc(NC(=O)CCCCCCN)n1.Cl.Cl
InChIInChI=1S/C14H27N5O.2ClH/c1-18(2)11-12-19-10-8-13(17-19)16-14(20)7-5-3-4-6-9-15;;/h8,10H,3-7,9,11-12,15H2,1-2H3,(H,16,17,20);2*1H
InChIKeySOGACJANCPQZKA-UHFFFAOYSA-N
XLogP2.14
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]heptanamide;hydrochloride
CID 119767680
4-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]pentanamide;dihydrochloride
CID 120565170
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzamide
CID 119946927
(2S)-2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-4-methylpentanamide
CID 119870197
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
2-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenylpropanamide
CID 120596230
3-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870150
1-(4-chlorophenyl)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 47088976
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119870176
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]propanamide;hydrochloride
CID 119341237
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-piperidin-4-ylbutanamide
CID 119870177
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(2-hydroxy-4-methylpentyl)urea
CID 111475349

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride (CID 119870128) is 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride is CN(C)CCn1ccc(NC(=O)CCCCCCN)n1.Cl.Cl.
What is the InChIKey of 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride?
The InChIKey is SOGACJANCPQZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O.2ClH/c1-18(2)11-12-19-10-8-13(17-19)16-14(20)7-5-3-4-6-9-15;;/h8,10H,3-7,9,11-12,15H2,1-2H3,(H,16,17,20);2*1H.
What are the key properties of 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride?
7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride has a molecular weight of 354.33 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]heptanamide;dihydrochloride is sourced from PubChem (CID 119870128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).