N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide

C17H31N5O — CID 51105188

IUPACN-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
SMILESCc1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCCC1
InChIInChI=1S/C17H31N5O/c1-13-15(17(21(2)3)22(4)20-13)12-18-11-10-16(23)19-14-8-6-5-7-9-14/h14,18H,5-12H2,1-4H3,(H,19,23)
InChIKeyZYEFYOJWWFJNJQ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.72
Rot. Bonds7

About N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide

N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide (PubChem CID 51105188) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
PubChem CID51105188
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC NameN-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide
SMILESCc1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCCC1
InChIInChI=1S/C17H31N5O/c1-13-15(17(21(2)3)22(4)20-13)12-18-11-10-16(23)19-14-8-6-5-7-9-14/h14,18H,5-12H2,1-4H3,(H,19,23)
InChIKeyZYEFYOJWWFJNJQ-UHFFFAOYSA-N
XLogP1.72
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide (CID 51105188) is N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide is Cc1nn(C)c(N(C)C)c1CNCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
The InChIKey is ZYEFYOJWWFJNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-13-15(17(21(2)3)22(4)20-13)12-18-11-10-16(23)19-14-8-6-5-7-9-14/h14,18H,5-12H2,1-4H3,(H,19,23).
What are the key properties of N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide?
N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide has a molecular weight of 321.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 51105188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).