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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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).