N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine

C10H19N3O — CID 43539814

IUPACN-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine
SMILESCOC(C)(C)CC(C)Nc1cn[nH]c1
InChIInChI=1S/C10H19N3O/c1-8(5-10(2,3)14-4)13-9-6-11-12-7-9/h6-8,13H,5H2,1-4H3,(H,11,12)
InChIKeyFDLSCYCRHSIECJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.03
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine

N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine (PubChem CID 43539814) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine
PubChem CID43539814
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine
SMILESCOC(C)(C)CC(C)Nc1cn[nH]c1
InChIInChI=1S/C10H19N3O/c1-8(5-10(2,3)14-4)13-9-6-11-12-7-9/h6-8,13H,5H2,1-4H3,(H,11,12)
InChIKeyFDLSCYCRHSIECJ-UHFFFAOYSA-N
XLogP2.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine (CID 43539814) is N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine is COC(C)(C)CC(C)Nc1cn[nH]c1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine?
The InChIKey is FDLSCYCRHSIECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(5-10(2,3)14-4)13-9-6-11-12-7-9/h6-8,13H,5H2,1-4H3,(H,11,12).
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine?
N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine has a molecular weight of 197.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43539814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).