(3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone

C21H21Cl2N5O — CID 145315742

IUPAC(3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESNc1ccn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H21Cl2N5O/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)26-11-13-27(14-12-26)21(29)28-10-9-19(24)25-28/h1-10,20H,11-14H2,(H2,24,25)
InChIKeyBTECAMPGMLPCKM-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.15
Rot. Bonds3

About (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone

(3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 145315742) has the molecular formula C21H21Cl2N5O and a molecular weight of 430.34 g/mol. Its IUPAC name is (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID145315742
Molecular FormulaC21H21Cl2N5O
Molecular Weight430.34 g/mol
Exact Mass429.11
IUPAC Name(3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESNc1ccn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C21H21Cl2N5O/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)26-11-13-27(14-12-26)21(29)28-10-9-19(24)25-28/h1-10,20H,11-14H2,(H2,24,25)
InChIKeyBTECAMPGMLPCKM-UHFFFAOYSA-N
XLogP4.15
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

ethyl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylate
CID 10318399
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 46100506
(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 145315606
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(3-tert-butyl-1-methylpyrazol-5-yl)methanone
CID 46705012
[3-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-5-methyl-1,2-oxazol-4-yl]-hydroxyazanium
CID 172569074
(2R)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92770642
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 46100709
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 145315742) is (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone is Nc1ccn(C(=O)N2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is BTECAMPGMLPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)26-11-13-27(14-12-26)21(29)28-10-9-19(24)25-28/h1-10,20H,11-14H2,(H2,24,25).
What are the key properties of (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 430.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazol-1-yl)-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 145315742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).