N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C13H17IN4 — CID 81255204

IUPACN-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnccc1-n1cc(I)cn1
InChIInChI=1S/C13H17IN4/c1-13(2,3)16-7-10-6-15-5-4-12(10)18-9-11(14)8-17-18/h4-6,8-9,16H,7H2,1-3H3
InChIKeyQIDCUGQAZXPIOM-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.76
Rot. Bonds3

About N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 81255204) has the molecular formula C13H17IN4 and a molecular weight of 356.21 g/mol. Its IUPAC name is N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID81255204
Molecular FormulaC13H17IN4
Molecular Weight356.21 g/mol
Exact Mass356.05
IUPAC NameN-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnccc1-n1cc(I)cn1
InChIInChI=1S/C13H17IN4/c1-13(2,3)16-7-10-6-15-5-4-12(10)18-9-11(14)8-17-18/h4-6,8-9,16H,7H2,1-3H3
InChIKeyQIDCUGQAZXPIOM-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.76
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

2-methyl-N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81253288
N-[[5-chloro-2-(4-iodopyrazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114854706
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81254195
2-methyl-N-[[4-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81248241
N-[[4-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 81255189
N-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81246491
2-methyl-N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246270
N-[[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81255287
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81247301
2-methyl-N-[(3-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 105072830
2-methyl-N-[[3-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105074737
N-[[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]methyl]cyclopropanamine
CID 81255203

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 81255204) is N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnccc1-n1cc(I)cn1.
What is the InChIKey of N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is QIDCUGQAZXPIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN4/c1-13(2,3)16-7-10-6-15-5-4-12(10)18-9-11(14)8-17-18/h4-6,8-9,16H,7H2,1-3H3.
What are the key properties of N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-iodopyrazol-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81255204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).