N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C18H32N4O — CID 119620409

IUPACN-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C18H32N4O/c1-14-17(15(2)22(3)21-14)10-11-18(23)20-13-12-19-16-8-6-4-5-7-9-16/h16,19H,4-13H2,1-3H3,(H,20,23)
InChIKeyRTOGJGGHZLXBGY-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.40
Rot. Bonds7

About N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 119620409) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID119620409
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCNC1CCCCCC1
InChIInChI=1S/C18H32N4O/c1-14-17(15(2)22(3)21-14)10-11-18(23)20-13-12-19-16-8-6-4-5-7-9-16/h16,19H,4-13H2,1-3H3,(H,20,23)
InChIKeyRTOGJGGHZLXBGY-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 119620409) is N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is RTOGJGGHZLXBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-14-17(15(2)22(3)21-14)10-11-18(23)20-13-12-19-16-8-6-4-5-7-9-16/h16,19H,4-13H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 320.48 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 119620409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).