4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine

C9H15IN4 — CID 62975269

IUPAC4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
SMILESCc1nn(C2CCN(C)C2)c(N)c1I
InChIInChI=1S/C9H15IN4/c1-6-8(10)9(11)14(12-6)7-3-4-13(2)5-7/h7H,3-5,11H2,1-2H3
InChIKeyPPSHPBSGRHOSBR-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.25
Rot. Bonds1

About 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine

4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine (PubChem CID 62975269) has the molecular formula C9H15IN4 and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
PubChem CID62975269
Molecular FormulaC9H15IN4
Molecular Weight306.15 g/mol
Exact Mass306.03
IUPAC Name4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
SMILESCc1nn(C2CCN(C)C2)c(N)c1I
InChIInChI=1S/C9H15IN4/c1-6-8(10)9(11)14(12-6)7-3-4-13(2)5-7/h7H,3-5,11H2,1-2H3
InChIKeyPPSHPBSGRHOSBR-UHFFFAOYSA-N
XLogP1.25
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylcyclohexyl)-4-iodo-3-methylpyrazol-5-amine
CID 64746819
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
CID 62977491
1-(4-tert-butylcycloheptyl)-4-iodo-3-methylpyrazol-5-amine
CID 65090132
3,5-dimethyl-1-(1-methylpyrrolidin-3-yl)pyrazole-4-carbonitrile
CID 105456652
4-iodo-5-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 90382918
3-methyl-1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-5-amine
CID 3030387
4-chloro-1-(1-cyclopropylpyrrolidin-3-yl)-3-methylpyrazol-5-amine
CID 62975091
5-tert-butyl-1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-3-amine
CID 164559706
2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
CID 105498199
4-amino-1-(1-methylpyrrolidin-3-yl)pyrrolidin-2-one
CID 61465092
5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine
CID 90104184
3-(4-methylphenyl)-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 145124778

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine?
The IUPAC name of 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine (CID 62975269) is 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine.
What is the SMILES notation for 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine?
The canonical SMILES for 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine is Cc1nn(C2CCN(C)C2)c(N)c1I.
What is the InChIKey of 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine?
The InChIKey is PPSHPBSGRHOSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15IN4/c1-6-8(10)9(11)14(12-6)7-3-4-13(2)5-7/h7H,3-5,11H2,1-2H3.
What are the key properties of 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine?
4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine has a molecular weight of 306.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine is sourced from PubChem (CID 62975269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).