(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone

C11H19N5O — CID 65359172

IUPAC(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5O/c1-3-16-8-9(12)10(13-16)11(17)15-6-4-14(2)5-7-15/h8H,3-7,12H2,1-2H3
InChIKeyIGNHVXNNOWDFJL-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.13
Rot. Bonds2

About (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone

(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 65359172) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID65359172
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCCn1cc(N)c(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C11H19N5O/c1-3-16-8-9(12)10(13-16)11(17)15-6-4-14(2)5-7-15/h8H,3-7,12H2,1-2H3
InChIKeyIGNHVXNNOWDFJL-UHFFFAOYSA-N
XLogP-0.13
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-ethylpyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 65358271
(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-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 132586598
(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(4-amino-1-ethylpyrazol-3-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107390347
(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-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 132586470

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 65359172) is (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone is CCn1cc(N)c(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IGNHVXNNOWDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-16-8-9(12)10(13-16)11(17)15-6-4-14(2)5-7-15/h8H,3-7,12H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone?
(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 237.31 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 65359172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).