(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C12H21N5O2 — CID 65358271

IUPAC(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCn1cc(N)c(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-17-9-10(13)11(14-17)12(19)16-5-3-15(4-6-16)7-8-18/h9,18H,2-8,13H2,1H3
InChIKeyHPSLDAFPIKVAEG-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.76
Rot. Bonds4

About (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 65358271) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID65358271
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCCn1cc(N)c(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-17-9-10(13)11(14-17)12(19)16-5-3-15(4-6-16)7-8-18/h9,18H,2-8,13H2,1H3
InChIKeyHPSLDAFPIKVAEG-UHFFFAOYSA-N
XLogP-0.76
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 65359172
(4-amino-1-ethylpyrazol-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 65357767
(4-amino-1-ethylpyrazol-3-yl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 65357787
1-(4-amino-1-ethylpyrazole-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 65358193
N-[[1-(4-amino-1-ethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102735847
(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66391657
(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 65358510
(4-amino-1-ethylpyrazol-3-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65357930
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110484864
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62081573

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 65358271) is (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is CCn1cc(N)c(C(=O)N2CCN(CCO)CC2)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is HPSLDAFPIKVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-17-9-10(13)11(14-17)12(19)16-5-3-15(4-6-16)7-8-18/h9,18H,2-8,13H2,1H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 267.33 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 65358271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).