[4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C14H23ClN6O — CID 138710693

IUPAC[4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(n3cc(N)c(Cl)n3)CC2)CC1
InChIInChI=1S/C14H23ClN6O/c1-18-6-8-20(9-7-18)14(22)19-4-2-11(3-5-19)21-10-12(16)13(15)17-21/h10-11H,2-9,16H2,1H3
InChIKeyMODVLPNBPBCEIU-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.12
Rot. Bonds1

About [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 138710693) has the molecular formula C14H23ClN6O and a molecular weight of 326.83 g/mol. Its IUPAC name is [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID138710693
Molecular FormulaC14H23ClN6O
Molecular Weight326.83 g/mol
Exact Mass326.16
IUPAC Name[4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(n3cc(N)c(Cl)n3)CC2)CC1
InChIInChI=1S/C14H23ClN6O/c1-18-6-8-20(9-7-18)14(22)19-4-2-11(3-5-19)21-10-12(16)13(15)17-21/h10-11H,2-9,16H2,1H3
InChIKeyMODVLPNBPBCEIU-UHFFFAOYSA-N
XLogP1.12
TPSA70.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-amino-3-chloropyrazol-1-yl)azepan-1-yl]-cyclopropylmethanone
CID 138710724
3-chloro-1-(oxetan-3-yl)pyrazol-4-amine
CID 165398729
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 66712036
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
(4-cyclopentylpiperazin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 121184728
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 177135013
4-(3,4-dimethylpyrazol-1-yl)-1-methylpiperidine;ethane
CID 177246443
1-[4-[4-(2-chloropyrimidin-5-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 178082262
(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 65359172

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 138710693) is [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(n3cc(N)c(Cl)n3)CC2)CC1.
What is the InChIKey of [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MODVLPNBPBCEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6O/c1-18-6-8-20(9-7-18)14(22)19-4-2-11(3-5-19)21-10-12(16)13(15)17-21/h10-11H,2-9,16H2,1H3.
What are the key properties of [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 326.83 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-3-chloropyrazol-1-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 138710693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).