7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide

C12H22N4O — CID 54896863

IUPAC7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide
SMILESCc1[nH]ncc1CNC(=O)CCCCCCN
InChIInChI=1S/C12H22N4O/c1-10-11(9-15-16-10)8-14-12(17)6-4-2-3-5-7-13/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyVOCOKMBKDKQBJK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.24
Rot. Bonds8

About 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide

7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide (PubChem CID 54896863) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide
PubChem CID54896863
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide
SMILESCc1[nH]ncc1CNC(=O)CCCCCCN
InChIInChI=1S/C12H22N4O/c1-10-11(9-15-16-10)8-14-12(17)6-4-2-3-5-7-13/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyVOCOKMBKDKQBJK-UHFFFAOYSA-N
XLogP1.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide?
The IUPAC name of 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide (CID 54896863) is 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide.
What is the SMILES notation for 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide?
The canonical SMILES for 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide is Cc1[nH]ncc1CNC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide?
The InChIKey is VOCOKMBKDKQBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10-11(9-15-16-10)8-14-12(17)6-4-2-3-5-7-13/h9H,2-8,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide?
7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide has a molecular weight of 238.33 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptanamide is sourced from PubChem (CID 54896863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).