3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine

C8H14N4 — CID 117215881

IUPAC3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CNC2CC2)cc1N
InChIInChI=1S/C8H14N4/c1-12-8(9)4-7(11-12)5-10-6-2-3-6/h4,6,10H,2-3,5,9H2,1H3
InChIKeyVPJOFJHCIOWPAJ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.25
Rot. Bonds3

About 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine

3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine (PubChem CID 117215881) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine
PubChem CID117215881
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine
SMILESCn1nc(CNC2CC2)cc1N
InChIInChI=1S/C8H14N4/c1-12-8(9)4-7(11-12)5-10-6-2-3-6/h4,6,10H,2-3,5,9H2,1H3
InChIKeyVPJOFJHCIOWPAJ-UHFFFAOYSA-N
XLogP0.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 114255453
4-[(cyclopropylamino)methyl]-1-ethylimidazol-2-amine
CID 117191734
N-[(3-bromo-1-methylpyrazol-5-yl)methyl]cyclopropanamine
CID 131176759
5-[(cyclopropylamino)methyl]-1-methylpyrazol-4-amine
CID 117217706
N-[[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193219
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502
methyl 2-(5-amino-1-methylpyrazol-3-yl)acetate
CID 84653383
N-[[5-(3-ethyl-1-methylpyrazol-5-yl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145001
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine (CID 117215881) is 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine is Cn1nc(CNC2CC2)cc1N.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine?
The InChIKey is VPJOFJHCIOWPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-12-8(9)4-7(11-12)5-10-6-2-3-6/h4,6,10H,2-3,5,9H2,1H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine?
3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine has a molecular weight of 166.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117215881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).