1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone

C13H23N5O — CID 66018435

IUPAC1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone
SMILESCCCc1nn(C)c(N2CCN(C(C)=O)CC2)c1N
InChIInChI=1S/C13H23N5O/c1-4-5-11-12(14)13(16(3)15-11)18-8-6-17(7-9-18)10(2)19/h4-9,14H2,1-3H3
InChIKeyUGQSOOQDPIOUFU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.62
Rot. Bonds3

About 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone

1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 66018435) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone
PubChem CID66018435
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone
SMILESCCCc1nn(C)c(N2CCN(C(C)=O)CC2)c1N
InChIInChI=1S/C13H23N5O/c1-4-5-11-12(14)13(16(3)15-11)18-8-6-17(7-9-18)10(2)19/h4-9,14H2,1-3H3
InChIKeyUGQSOOQDPIOUFU-UHFFFAOYSA-N
XLogP0.62
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(4-methyl-1,4-diazepan-1-yl)-3-propylpyrazol-4-amine
CID 66018437
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-N-methylpiperidine-4-carboxamide
CID 66017883
5-[4-(cyclopropylmethyl)piperazin-1-yl]-1-methyl-3-propylpyrazol-4-amine
CID 66018866
[1-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66020017
5-(3-ethyl-4-methylpiperazin-1-yl)-1-methyl-3-propylpyrazol-4-amine
CID 66018899
4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-2-one
CID 66017461
4-amino-1-methyl-3-propylpyrazole-5-carboxamide
CID 3338044
1-methyl-3-propyl-5-(2-propylimidazol-1-yl)pyrazol-4-amine
CID 66017554
1-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propylpyrazol-4-amine
CID 79174452
N-[[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)piperidin-4-yl]methyl]acetamide
CID 102735928
5-[3-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-propylpyrazol-4-amine
CID 66018904
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-4-methylpiperidin-4-ol
CID 81096865

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone (CID 66018435) is 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone is CCCc1nn(C)c(N2CCN(C(C)=O)CC2)c1N.
What is the InChIKey of 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is UGQSOOQDPIOUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-5-11-12(14)13(16(3)15-11)18-8-6-17(7-9-18)10(2)19/h4-9,14H2,1-3H3.
What are the key properties of 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone?
1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 265.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-1-methyl-3-propylpyrazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 66018435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).