(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-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
4-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)morpholine
CID 844560
4-({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)-2,6-dimethylmorpholine
CID 4427813
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
3-amino-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
CID 122673591
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
4-amino-1-ethyl-1H-pyrazole-3-carboxamide
CID 6485352

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).