5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine

C22H33N5O — CID 23299985

IUPAC5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine
SMILESCC(C)Oc1ccccc1N1CCN(Cc2c(C3CCC3)nn(C)c2N)CC1
InChIInChI=1S/C22H33N5O/c1-16(2)28-20-10-5-4-9-19(20)27-13-11-26(12-14-27)15-18-21(17-7-6-8-17)24-25(3)22(18)23/h4-5,9-10,16-17H,6-8,11-15,23H2,1-3H3
InChIKeyIUVFIEAMFRWGNB-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.38
Rot. Bonds6

About 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine

5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine (PubChem CID 23299985) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine
PubChem CID23299985
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine
SMILESCC(C)Oc1ccccc1N1CCN(Cc2c(C3CCC3)nn(C)c2N)CC1
InChIInChI=1S/C22H33N5O/c1-16(2)28-20-10-5-4-9-19(20)27-13-11-26(12-14-27)15-18-21(17-7-6-8-17)24-25(3)22(18)23/h4-5,9-10,16-17H,6-8,11-15,23H2,1-3H3
InChIKeyIUVFIEAMFRWGNB-UHFFFAOYSA-N
XLogP3.38
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophene-2-carbaldehyde
CID 102379277
1-[2-(1-methylpyrrol-2-yl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10520288
1-[2-(4-bromophenyl)ethyl]-4-(2-propan-2-yloxyphenyl)piperazine
CID 10644841
5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,2-oxazole-3-carbaldehyde
CID 89242111
1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 10622766
1-[[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-2-yl]methyl]piperidin-2-one
CID 10836245
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
N-cyclopropyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077668
1-(2-nitrophenyl)-4-[(2-propan-2-yloxyphenyl)methyl]piperazine
CID 60538847
5-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 10598329
3-methyl-4-(propan-2-ylamino)-1-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11430348
but-2-enedioic acid;1-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]piperidine-2,6-dione
CID 160762853

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine?
The IUPAC name of 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine (CID 23299985) is 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine is CC(C)Oc1ccccc1N1CCN(Cc2c(C3CCC3)nn(C)c2N)CC1.
What is the InChIKey of 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine?
The InChIKey is IUVFIEAMFRWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16(2)28-20-10-5-4-9-19(20)27-13-11-26(12-14-27)15-18-21(17-7-6-8-17)24-25(3)22(18)23/h4-5,9-10,16-17H,6-8,11-15,23H2,1-3H3.
What are the key properties of 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine?
5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine has a molecular weight of 383.54 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-methyl-4-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 23299985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).