1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine

C9H14IN3 — CID 131031515

IUPAC1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cnn(C)c1I)C1CC1
InChIInChI=1S/C9H14IN3/c1-11-8(6-3-4-6)7-5-12-13(2)9(7)10/h5-6,8,11H,3-4H2,1-2H3
InChIKeyRDKJHWXNNRBCHP-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.70
Rot. Bonds3

About 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine

1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 131031515) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine
PubChem CID131031515
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine
SMILESCNC(c1cnn(C)c1I)C1CC1
InChIInChI=1S/C9H14IN3/c1-11-8(6-3-4-6)7-5-12-13(2)9(7)10/h5-6,8,11H,3-4H2,1-2H3
InChIKeyRDKJHWXNNRBCHP-UHFFFAOYSA-N
XLogP1.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methyl]hydrazine
CID 131107647
cyclobutyl-(5-iodo-1-methylpyrazol-4-yl)methanol
CID 130637937
1-cyclopropyl-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485930
1-(5-iodo-1-methylpyrazol-4-yl)ethanamine
CID 131110893
1-cyclopropyl-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 83683542
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
1-(4,4-difluorocyclohexyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105186369
N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
N-methyl-1-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148778
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65390436
1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine (CID 131031515) is 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine is CNC(c1cnn(C)c1I)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is RDKJHWXNNRBCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-11-8(6-3-4-6)7-5-12-13(2)9(7)10/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine?
1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 291.14 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(5-iodo-1-methylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 131031515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).