(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C11H19N5O2 — CID 62081573

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCN(CCO)CC2)c1N
InChIInChI=1S/C11H19N5O2/c1-8-9(12)10(14-13-8)11(18)16-4-2-15(3-5-16)6-7-17/h17H,2-7,12H2,1H3,(H,13,14)
InChIKeyRGDRSSVHSBTGIS-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.95
Rot. Bonds3

About (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 62081573) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID62081573
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCN(CCO)CC2)c1N
InChIInChI=1S/C11H19N5O2/c1-8-9(12)10(14-13-8)11(18)16-4-2-15(3-5-16)6-7-17/h17H,2-7,12H2,1H3,(H,13,14)
InChIKeyRGDRSSVHSBTGIS-UHFFFAOYSA-N
XLogP-0.95
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 55034854
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62083202
(5-amino-2H-triazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110484864
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62083192
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 62082114
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
tert-butyl 4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 104933218
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 62082297
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 62081242

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 62081573) is (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCN(CCO)CC2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is RGDRSSVHSBTGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-9(12)10(14-13-8)11(18)16-4-2-15(3-5-16)6-7-17/h17H,2-7,12H2,1H3,(H,13,14).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 253.31 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62081573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).