[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C14H18N6O — CID 62921478

IUPAC[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C14H18N6O/c1-18-12(4-5-17-18)14(21)20-8-6-19(7-9-20)11-2-3-13(15)16-10-11/h2-5,10H,6-9H2,1H3,(H2,15,16)
InChIKeyFXRCQFBHANMCPR-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.36
Rot. Bonds2

About [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 62921478) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID62921478
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C14H18N6O/c1-18-12(4-5-17-18)14(21)20-8-6-19(7-9-20)11-2-3-13(15)16-10-11/h2-5,10H,6-9H2,1H3,(H2,15,16)
InChIKeyFXRCQFBHANMCPR-UHFFFAOYSA-N
XLogP0.36
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 43461900
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-bromofuran-2-yl)methanone
CID 43461882
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276664
(6-amino-3-pyridinyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 68729434

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 62921478) is [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is FXRCQFBHANMCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-12(4-5-17-18)14(21)20-8-6-19(7-9-20)11-2-3-13(15)16-10-11/h2-5,10H,6-9H2,1H3,(H2,15,16).
What are the key properties of [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 62921478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).