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[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride

C22H26ClN5O — CID 154905790

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccccc2)c(N)c1-c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C22H25N5O.ClH/c1-15-20(21(24)27(25-15)19-5-3-2-4-6-19)16-7-9-17(10-8-16)22(28)26-13-11-18(23)12-14-26;/h2-10,18H,11-14,23-24H2,1H3;1H
InChIKeyDLIKUXZXHCWOIF-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.42
Rot. Bonds3

About [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride

[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride (PubChem CID 154905790) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
PubChem CID154905790
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride
SMILESCc1nn(-c2ccccc2)c(N)c1-c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl
InChIInChI=1S/C22H25N5O.ClH/c1-15-20(21(24)27(25-15)19-5-3-2-4-6-19)16-7-9-17(10-8-16)22(28)26-13-11-18(23)12-14-26;/h2-10,18H,11-14,23-24H2,1H3;1H
InChIKeyDLIKUXZXHCWOIF-UHFFFAOYSA-N
XLogP3.42
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride (CID 154905790) is [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride is Cc1nn(-c2ccccc2)c(N)c1-c1ccc(C(=O)N2CCC(N)CC2)cc1.Cl.
What is the InChIKey of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The InChIKey is DLIKUXZXHCWOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O.ClH/c1-15-20(21(24)27(25-15)19-5-3-2-4-6-19)16-7-9-17(10-8-16)22(28)26-13-11-18(23)12-14-26;/h2-10,18H,11-14,23-24H2,1H3;1H.
What are the key properties of [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride?
[4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride has a molecular weight of 411.94 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]-(4-aminopiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 154905790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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