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

C14H18N6O — CID 43462403

IUPAC[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3ccncc3N)CC2)cn1
InChIInChI=1S/C14H18N6O/c1-18-10-11(8-17-18)14(21)20-6-4-19(5-7-20)13-2-3-16-9-12(13)15/h2-3,8-10H,4-7,15H2,1H3
InChIKeyFEZWLUYHCDVDTQ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.36
Rot. Bonds2

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

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 43462403) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID43462403
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCN(c3ccncc3N)CC2)cn1
InChIInChI=1S/C14H18N6O/c1-18-10-11(8-17-18)14(21)20-6-4-19(5-7-20)13-2-3-16-9-12(13)15/h2-3,8-10H,4-7,15H2,1H3
InChIKeyFEZWLUYHCDVDTQ-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

[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818622
1-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 43462396
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 62276861
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(1-methylpyrazol-4-yl)-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)methanone
CID 172902881
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
CID 62127614
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 106683150
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900126
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 43462403) is [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCN(c3ccncc3N)CC2)cn1.
What is the InChIKey of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is FEZWLUYHCDVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-18-10-11(8-17-18)14(21)20-6-4-19(5-7-20)13-2-3-16-9-12(13)15/h2-3,8-10H,4-7,15H2,1H3.
What are the key properties of [4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-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-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 43462403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).