7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride

C12H23ClN4O — CID 119750177

IUPAC7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
SMILESCl.Cn1cc(CNC(=O)CCCCCCN)cn1
InChIInChI=1S/C12H22N4O.ClH/c1-16-10-11(9-15-16)8-14-12(17)6-4-2-3-5-7-13;/h9-10H,2-8,13H2,1H3,(H,14,17);1H
InChIKeyZUXRZJQEDMNJCX-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.37
Rot. Bonds8

About 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride

7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride (PubChem CID 119750177) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
PubChem CID119750177
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride
SMILESCl.Cn1cc(CNC(=O)CCCCCCN)cn1
InChIInChI=1S/C12H22N4O.ClH/c1-16-10-11(9-15-16)8-14-12(17)6-4-2-3-5-7-13;/h9-10H,2-8,13H2,1H3,(H,14,17);1H
InChIKeyZUXRZJQEDMNJCX-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 107909826
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569715
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260
2-[2-[(1-methylpyrazol-4-yl)methylamino]-2-oxoethoxy]acetic acid
CID 61350617
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 19544017
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
CID 106384846
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547707

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride (CID 119750177) is 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride is Cl.Cn1cc(CNC(=O)CCCCCCN)cn1.
What is the InChIKey of 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride?
The InChIKey is ZUXRZJQEDMNJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O.ClH/c1-16-10-11(9-15-16)8-14-12(17)6-4-2-3-5-7-13;/h9-10H,2-8,13H2,1H3,(H,14,17);1H.
What are the key properties of 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride?
7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride has a molecular weight of 274.80 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(1-methylpyrazol-4-yl)methyl]heptanamide;hydrochloride is sourced from PubChem (CID 119750177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).