N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine

C10H15N3 — CID 130635384

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine
SMILESC#CC(C)N(C)Cc1ccnn1C
InChIInChI=1S/C10H15N3/c1-5-9(2)12(3)8-10-6-7-11-13(10)4/h1,6-7,9H,8H2,2-4H3
InChIKeyJPCYMXVKJXMIQT-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.87
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine (PubChem CID 130635384) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine
PubChem CID130635384
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine
SMILESC#CC(C)N(C)Cc1ccnn1C
InChIInChI=1S/C10H15N3/c1-5-9(2)12(3)8-10-6-7-11-13(10)4/h1,6-7,9H,8H2,2-4H3
InChIKeyJPCYMXVKJXMIQT-UHFFFAOYSA-N
XLogP0.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
2-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,2-diamine
CID 103015452
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
5-(bromomethyl)-1-methylpyrazole
CID 59589503
5-(iodomethyl)-1-methylpyrazole
CID 126698907
1-N,1-N,3-trimethyl-2-N-[(2-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 61476932
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,3-benzoxazol-2-amine
CID 121020808

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine (CID 130635384) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine is C#CC(C)N(C)Cc1ccnn1C.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine?
The InChIKey is JPCYMXVKJXMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-9(2)12(3)8-10-6-7-11-13(10)4/h1,6-7,9H,8H2,2-4H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine has a molecular weight of 177.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]but-3-yn-2-amine is sourced from PubChem (CID 130635384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).