1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine

C11H19N3O — CID 102804468

IUPAC1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCC1CCC(C)O1
InChIInChI=1S/C11H19N3O/c1-8-4-5-10(15-8)6-12-11-7-14(3)13-9(11)2/h7-8,10,12H,4-6H2,1-3H3
InChIKeyNCAZKVCEGBKEHI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.71
Rot. Bonds3

About 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine

1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine (PubChem CID 102804468) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine
PubChem CID102804468
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine
SMILESCc1nn(C)cc1NCC1CCC(C)O1
InChIInChI=1S/C11H19N3O/c1-8-4-5-10(15-8)6-12-11-7-14(3)13-9(11)2/h7-8,10,12H,4-6H2,1-3H3
InChIKeyNCAZKVCEGBKEHI-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-((oxolan-2-yl)methyl)-1H-pyrazol-4-amine
CID 43185727
1-(2-methoxyethyl)-3-methyl-1H-pyrazol-4-amine
CID 69281507
5-methyl-1-(oxolan-3-yl)-1H-pyrazol-4-amine
CID 69281515
N-(1,3-dimethylpyrazol-4-yl)-2-pentoxyacetamide
CID 126816191
3-Methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281508
1-[(2R)-2-(difluoromethoxy)propyl]-3-methylpyrazol-4-amine
CID 135374505
1-[2-(Difluoromethoxy)propyl]-3-methylpyrazol-4-amine
CID 135374506
1-[(2R)-2-(difluoromethoxy)propyl]-5-methylpyrazol-4-amine
CID 135374575
1-[2-(Difluoromethoxy)propyl]-5-methylpyrazol-4-amine
CID 135374576
3-(difluoromethyl)-1-(4-methoxycyclohexyl)-N-methylpyrazol-4-amine
CID 162349089
1-[3-(Fluoromethyl)oxolan-3-yl]-3-methylpyrazol-4-amine
CID 175175164
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]oxolan-2-yl]methanamine
CID 55073137

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine (CID 102804468) is 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine is Cc1nn(C)cc1NCC1CCC(C)O1.
What is the InChIKey of 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine?
The InChIKey is NCAZKVCEGBKEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-4-5-10(15-8)6-12-11-7-14(3)13-9(11)2/h7-8,10,12H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine has a molecular weight of 209.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 102804468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).