N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine

C11H21N3 — CID 114868708

IUPACN-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCNc1n[nH]c(CC(C)C)c1C(C)C
InChIInChI=1S/C11H21N3/c1-7(2)6-9-10(8(3)4)11(12-5)14-13-9/h7-8H,6H2,1-5H3,(H2,12,13,14)
InChIKeyQIOSUFJBJJALFG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.77
Rot. Bonds4

About N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine

N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 114868708) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine
PubChem CID114868708
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCNc1n[nH]c(CC(C)C)c1C(C)C
InChIInChI=1S/C11H21N3/c1-7(2)6-9-10(8(3)4)11(12-5)14-13-9/h7-8H,6H2,1-5H3,(H2,12,13,14)
InChIKeyQIOSUFJBJJALFG-UHFFFAOYSA-N
XLogP2.77
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine (CID 114868708) is N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine is CNc1n[nH]c(CC(C)C)c1C(C)C.
What is the InChIKey of N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is QIOSUFJBJJALFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-7(2)6-9-10(8(3)4)11(12-5)14-13-9/h7-8H,6H2,1-5H3,(H2,12,13,14).
What are the key properties of N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine?
N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 114868708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).