N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine

C11H21N3O — CID 62194625

IUPACN-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine
SMILESCCNc1c(COC(C)C)c(C)nn1C
InChIInChI=1S/C11H21N3O/c1-6-12-11-10(7-15-8(2)3)9(4)13-14(11)5/h8,12H,6-7H2,1-5H3
InChIKeyLAVIUPKJLNFMRK-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine

N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine (PubChem CID 62194625) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine
PubChem CID62194625
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine
SMILESCCNc1c(COC(C)C)c(C)nn1C
InChIInChI=1S/C11H21N3O/c1-6-12-11-10(7-15-8(2)3)9(4)13-14(11)5/h8,12H,6-7H2,1-5H3
InChIKeyLAVIUPKJLNFMRK-UHFFFAOYSA-N
XLogP2.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(butoxymethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 62195554
[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methanol
CID 62194679
4-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methylsulfanyl]phenol
CID 55044477
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
[4-(methoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62245433
4-(cyclopropylmethoxymethyl)-1,3-dimethyl-N-propylpyrazol-5-amine
CID 62193776
N-ethyl-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazol-5-amine
CID 55046124
1-[[5-(ethylamino)-1,3-dimethylpyrazol-4-yl]methyl]pyridin-2-one
CID 62208668
[4-(2-ethoxyethoxymethyl)-1,3-dimethylpyrazol-5-yl]hydrazine
CID 62246595
4-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 55046555
3-propan-2-yloxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 28727158
4-(2,6-difluorophenyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 140655069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine (CID 62194625) is N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine is CCNc1c(COC(C)C)c(C)nn1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine?
The InChIKey is LAVIUPKJLNFMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-12-11-10(7-15-8(2)3)9(4)13-14(11)5/h8,12H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine?
N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine has a molecular weight of 211.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-4-(propan-2-yloxymethyl)pyrazol-5-amine is sourced from PubChem (CID 62194625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).