N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine

C14H28N4 — CID 43280698

IUPACN-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCCN(C)c1c(CNCCC)c(C)nn1C
InChIInChI=1S/C14H28N4/c1-6-8-10-17(4)14-13(11-15-9-7-2)12(3)16-18(14)5/h15H,6-11H2,1-5H3
InChIKeyCMUYTSSLLZWXHH-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.46
Rot. Bonds8

About N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine

N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (PubChem CID 43280698) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
PubChem CID43280698
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
SMILESCCCCN(C)c1c(CNCCC)c(C)nn1C
InChIInChI=1S/C14H28N4/c1-6-8-10-17(4)14-13(11-15-9-7-2)12(3)16-18(14)5/h15H,6-11H2,1-5H3
InChIKeyCMUYTSSLLZWXHH-UHFFFAOYSA-N
XLogP2.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Guanidine, 1-tert-butyl-2-cyano-3-(1-ethyl-3-methyl-5-pyrazolyl)-
CID 3050769
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine
CID 71577603
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]methanesulfonamide
CID 51104851
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylmethanesulfonamide
CID 51105059
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
CID 51105420
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-ethylmethanesulfonamide
CID 53539231
4-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]-N-methylbutanamide
CID 53539334
N-[2-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 53542538
N,N,1,3-tetramethyl-4-[(2-methylsulfonylethylamino)methyl]pyrazol-5-amine
CID 53550850

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The IUPAC name of N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine (CID 43280698) is N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine.
What is the SMILES notation for N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The canonical SMILES for N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is CCCCN(C)c1c(CNCCC)c(C)nn1C.
What is the InChIKey of N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
The InChIKey is CMUYTSSLLZWXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-8-10-17(4)14-13(11-15-9-7-2)12(3)16-18(14)5/h15H,6-11H2,1-5H3.
What are the key properties of N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine?
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine has a molecular weight of 252.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine is sourced from PubChem (CID 43280698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).