N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide

C21H22ClN5O3 — CID 51999108

IUPACN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
SMILESCn1nc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H22ClN5O3/c1-25-19(23-20(28)18-7-4-12-30-18)13-17(24-25)21(29)27-10-8-26(9-11-27)14-15-5-2-3-6-16(15)22/h2-7,12-13H,8-11,14H2,1H3,(H,23,28)
InChIKeyRORSLSYPPPUDMA-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.88
Rot. Bonds5

About N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide

N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide (PubChem CID 51999108) has the molecular formula C21H22ClN5O3 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
PubChem CID51999108
Molecular FormulaC21H22ClN5O3
Molecular Weight427.89 g/mol
Exact Mass427.14
IUPAC NameN-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
SMILESCn1nc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H22ClN5O3/c1-25-19(23-20(28)18-7-4-12-30-18)13-17(24-25)21(29)27-10-8-26(9-11-27)14-15-5-2-3-6-16(15)22/h2-7,12-13H,8-11,14H2,1H3,(H,23,28)
InChIKeyRORSLSYPPPUDMA-UHFFFAOYSA-N
XLogP2.88
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 19279469
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]cyclopropanecarboxamide
CID 51998716
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-phenylpyrazol-5-yl]propanamide
CID 51998912
N-[(2-fluorophenyl)methyl]-5-(furan-2-carbonylamino)-1-methylpyrazole-3-carboxamide
CID 51999079
5-(furan-2-carbonylamino)-1-methyl-N-(4-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 51998966
N-[3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 51999302
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473137
[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38909971
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478097
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 19441424

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide (CID 51999108) is N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide is Cn1nc(C(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
The InChIKey is RORSLSYPPPUDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O3/c1-25-19(23-20(28)18-7-4-12-30-18)13-17(24-25)21(29)27-10-8-26(9-11-27)14-15-5-2-3-6-16(15)22/h2-7,12-13H,8-11,14H2,1H3,(H,23,28).
What are the key properties of N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 51999108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).