N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine

C19H30N4O — CID 51105094

IUPACN,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C19H30N4O/c1-13(2)24-17-10-8-9-16(11-17)14(3)20-12-18-15(4)21-23(7)19(18)22(5)6/h8-11,13-14,20H,12H2,1-7H3
InChIKeyXATIRUREFRQYPF-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.43
Rot. Bonds7

About N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine

N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine (PubChem CID 51105094) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine.

Molecular Properties

Compound NameN,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine
PubChem CID51105094
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine
SMILESCc1nn(C)c(N(C)C)c1CNC(C)c1cccc(OC(C)C)c1
InChIInChI=1S/C19H30N4O/c1-13(2)24-17-10-8-9-16(11-17)14(3)20-12-18-15(4)21-23(7)19(18)22(5)6/h8-11,13-14,20H,12H2,1-7H3
InChIKeyXATIRUREFRQYPF-UHFFFAOYSA-N
XLogP3.43
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine?
The IUPAC name of N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine (CID 51105094) is N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine.
What is the SMILES notation for N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine?
The canonical SMILES for N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine is Cc1nn(C)c(N(C)C)c1CNC(C)c1cccc(OC(C)C)c1.
What is the InChIKey of N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine?
The InChIKey is XATIRUREFRQYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13(2)24-17-10-8-9-16(11-17)14(3)20-12-18-15(4)21-23(7)19(18)22(5)6/h8-11,13-14,20H,12H2,1-7H3.
What are the key properties of N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine?
N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine has a molecular weight of 330.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,3-tetramethyl-4-[[1-(3-propan-2-yloxyphenyl)ethylamino]methyl]pyrazol-5-amine is sourced from PubChem (CID 51105094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).