N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine

C13H18N4 — CID 103127642

IUPACN-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
SMILESC=C(CC)CC(NC)c1cnn2ccncc12
InChIInChI=1S/C13H18N4/c1-4-10(2)7-12(14-3)11-8-16-17-6-5-15-9-13(11)17/h5-6,8-9,12,14H,2,4,7H2,1,3H3
InChIKeyZKBXOHAHMCWMOJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine

N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine (PubChem CID 103127642) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
PubChem CID103127642
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
SMILESC=C(CC)CC(NC)c1cnn2ccncc12
InChIInChI=1S/C13H18N4/c1-4-10(2)7-12(14-3)11-8-16-17-6-5-15-9-13(11)17/h5-6,8-9,12,14H,2,4,7H2,1,3H3
InChIKeyZKBXOHAHMCWMOJ-UHFFFAOYSA-N
XLogP2.35
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126562
4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103127292
N-ethyl-4-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpent-4-en-1-amine
CID 103128181
2-cyclopentyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126827
4-methoxy-N,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103128455
N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103126404
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
N-methyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126815
N-ethyl-4,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126890
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 103126621
2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127264
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
The IUPAC name of N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine (CID 103127642) is N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine.
What is the SMILES notation for N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
The canonical SMILES for N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine is C=C(CC)CC(NC)c1cnn2ccncc12.
What is the InChIKey of N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
The InChIKey is ZKBXOHAHMCWMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-10(2)7-12(14-3)11-8-16-17-6-5-15-9-13(11)17/h5-6,8-9,12,14H,2,4,7H2,1,3H3.
What are the key properties of N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine?
N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine is sourced from PubChem (CID 103127642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).