1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine

C14H20N4 — CID 75434835

IUPAC1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine
SMILESCc1ncccc1CNc1cnn(CC(C)C)c1
InChIInChI=1S/C14H20N4/c1-11(2)9-18-10-14(8-17-18)16-7-13-5-4-6-15-12(13)3/h4-6,8,10-11,16H,7,9H2,1-3H3
InChIKeyADIURZSACOBOML-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine

1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine (PubChem CID 75434835) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine
PubChem CID75434835
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine
SMILESCc1ncccc1CNc1cnn(CC(C)C)c1
InChIInChI=1S/C14H20N4/c1-11(2)9-18-10-14(8-17-18)16-7-13-5-4-6-15-12(13)3/h4-6,8,10-11,16H,7,9H2,1-3H3
InChIKeyADIURZSACOBOML-UHFFFAOYSA-N
XLogP2.85
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine (CID 75434835) is 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine is Cc1ncccc1CNc1cnn(CC(C)C)c1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine?
The InChIKey is ADIURZSACOBOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11(2)9-18-10-14(8-17-18)16-7-13-5-4-6-15-12(13)3/h4-6,8,10-11,16H,7,9H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine?
1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine has a molecular weight of 244.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(2-methyl-3-pyridinyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75434835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).